(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide

C24H35N3O4 — CID 97260125

IUPAC(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide
SMILESNC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NCC1([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C24H35N3O4/c25-20(28)12-11-19(27-21(29)13-10-17-6-4-5-7-17)23(31)26-16-24(14-15-24)22(30)18-8-2-1-3-9-18/h1-3,8-9,17,19,22,30H,4-7,10-16H2,(H2,25,28)(H,26,31)(H,27,29)/t19-,22+/m1/s1
InChIKeyHRJLOWWKNIMGKT-KNQAVFIVSA-N
MW429.56 g/mol
LogP2.34
Rot. Bonds12

About (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide

(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide (PubChem CID 97260125) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide.

Molecular Properties

Compound Name(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide
PubChem CID97260125
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide
SMILESNC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NCC1([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C24H35N3O4/c25-20(28)12-11-19(27-21(29)13-10-17-6-4-5-7-17)23(31)26-16-24(14-15-24)22(30)18-8-2-1-3-9-18/h1-3,8-9,17,19,22,30H,4-7,10-16H2,(H2,25,28)(H,26,31)(H,27,29)/t19-,22+/m1/s1
InChIKeyHRJLOWWKNIMGKT-KNQAVFIVSA-N
XLogP2.34
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-cyano-2-fluorophenyl)methyl]-2-(3-cyclopentylpropanoylamino)pentanediamide
CID 97260116
2-(3-cyclopentylpropanoylamino)-N-[(2-oxo-1,3-oxazolidin-5-yl)methyl]pentanediamide
CID 155944628
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
2-(1-hydroxycyclohexyl)-N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]acetamide
CID 75387676
3-cyclohexyl-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391299
N-(2-bromo-2-phenylethyl)-3-cyclohexylpropanamide
CID 114308467
(2R)-2-(4-cycloheptylbutanoylamino)-N-(2-phenylethyl)butanediamide
CID 162387399
3-(3-cyclobutylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 120522194
3-cyclohexyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 18290416
3-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]-3-phenylpropanoic acid
CID 119114013
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
2-(3-cyclohexylpropanoylamino)pentanedioic acid
CID 60708364

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide?
The IUPAC name of (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide (CID 97260125) is (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide.
What is the SMILES notation for (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide?
The canonical SMILES for (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide is NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)NCC1([C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide?
The InChIKey is HRJLOWWKNIMGKT-KNQAVFIVSA-N. The full InChI is InChI=1S/C24H35N3O4/c25-20(28)12-11-19(27-21(29)13-10-17-6-4-5-7-17)23(31)26-16-24(14-15-24)22(30)18-8-2-1-3-9-18/h1-3,8-9,17,19,22,30H,4-7,10-16H2,(H2,25,28)(H,26,31)(H,27,29)/t19-,22+/m1/s1.
What are the key properties of (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide?
(2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide has a molecular weight of 429.56 g/mol, XLogP of 2.34, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-cyclopentylpropanoylamino)-N-[[1-[(S)-hydroxy(phenyl)methyl]cyclopropyl]methyl]pentanediamide is sourced from PubChem (CID 97260125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).