(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide

C19H34N2O4 — CID 135739033

IUPAC(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide
SMILESC=CC[C@@H](CC(=O)NC1(CO)CCCC1)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C19H34N2O4/c1-5-8-14(17(25)20-15(12-22)18(2,3)4)11-16(24)21-19(13-23)9-6-7-10-19/h5,14-15,22-23H,1,6-13H2,2-4H3,(H,20,25)(H,21,24)/t14-,15+/m0/s1
InChIKeyFUMLOWDXNYYDGD-LSDHHAIUSA-N
MW354.49 g/mol
LogP1.51
Rot. Bonds9

About (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide

(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide (PubChem CID 135739033) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide
PubChem CID135739033
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide
SMILESC=CC[C@@H](CC(=O)NC1(CO)CCCC1)C(=O)N[C@H](CO)C(C)(C)C
InChIInChI=1S/C19H34N2O4/c1-5-8-14(17(25)20-15(12-22)18(2,3)4)11-16(24)21-19(13-23)9-6-7-10-19/h5,14-15,22-23H,1,6-13H2,2-4H3,(H,20,25)(H,21,24)/t14-,15+/m0/s1
InChIKeyFUMLOWDXNYYDGD-LSDHHAIUSA-N
XLogP1.51
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoylamino]-3,3-dimethylbutyl] pent-4-enoate
CID 3451795
[(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3,3-dimethylbutyl] (2R)-2-benzylpent-4-enoate
CID 135739035
(2R)-N'-[1-(hydroxymethyl)cyclopentyl]-N-[(1S)-2-hydroxy-1-phenylethyl]-2-prop-2-enylbutanediamide
CID 6606130
(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
CID 6605553
1-[2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate
CID 4988079
[(2S)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-phenylpropyl] (2R)-2-benzylpent-4-enoate
CID 6606122
[2-[2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoylamino]-3-methylbutyl] 2-benzylhept-6-enoate
CID 4048282
(3R)-N-[1-(hydroxymethyl)cyclopentyl]-3-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]hex-5-enamide
CID 6607016
[(2S)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-3-phenylpropyl] (2R)-2-benzylhex-5-enoate
CID 6606127
[(2R)-2-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] (2S)-2-benzylpent-4-enoate
CID 6607512
[(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] pent-4-enoate
CID 135739040
[(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] (2R)-2-benzylpent-4-enoate
CID 135739041

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide?
The IUPAC name of (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide (CID 135739033) is (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide.
What is the SMILES notation for (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide?
The canonical SMILES for (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide is C=CC[C@@H](CC(=O)NC1(CO)CCCC1)C(=O)N[C@H](CO)C(C)(C)C.
What is the InChIKey of (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide?
The InChIKey is FUMLOWDXNYYDGD-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-5-8-14(17(25)20-15(12-22)18(2,3)4)11-16(24)21-19(13-23)9-6-7-10-19/h5,14-15,22-23H,1,6-13H2,2-4H3,(H,20,25)(H,21,24)/t14-,15+/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide?
(2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide has a molecular weight of 354.49 g/mol, XLogP of 1.51, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[1-(hydroxymethyl)cyclopentyl]-2-prop-2-enylbutanediamide is sourced from PubChem (CID 135739033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).