[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate

C21H34N2O5 — CID 6605465

IUPAC[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate
SMILESC=CCCC(=O)OCC1(NC(=O)[C@H](CC=C)CC(=O)N[C@H](C)CO)CCCC1
InChIInChI=1S/C21H34N2O5/c1-4-6-10-19(26)28-15-21(11-7-8-12-21)23-20(27)17(9-5-2)13-18(25)22-16(3)14-24/h4-5,16-17,24H,1-2,6-15H2,3H3,(H,22,25)(H,23,27)/t16-,17-/m1/s1
InChIKeyMXVPPHBJGAERAG-IAGOWNOFSA-N
MW394.51 g/mol
LogP2.00
Rot. Bonds13

About [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate

[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate (PubChem CID 6605465) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate.

Molecular Properties

Compound Name[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate
PubChem CID6605465
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate
SMILESC=CCCC(=O)OCC1(NC(=O)[C@H](CC=C)CC(=O)N[C@H](C)CO)CCCC1
InChIInChI=1S/C21H34N2O5/c1-4-6-10-19(26)28-15-21(11-7-8-12-21)23-20(27)17(9-5-2)13-18(25)22-16(3)14-24/h4-5,16-17,24H,1-2,6-15H2,3H3,(H,22,25)(H,23,27)/t16-,17-/m1/s1
InChIKeyMXVPPHBJGAERAG-IAGOWNOFSA-N
XLogP2.00
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[[(2S)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2S)-2-benzylpent-4-enoate
CID 135739149
2-[2-[2-(1-hydroxypropan-2-ylamino)-2-oxoethyl]pent-4-enoylamino]ethyl pent-4-enoate
CID 4688810
[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylhept-6-enoate
CID 6606817
[1-[[(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-(phenylmethoxycarbonylamino)pent-4-enoate
CID 135739152
[2-[2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoylamino]-3,3-dimethylbutyl] pent-4-enoate
CID 3451795
1-[2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoylamino]propan-2-yl pent-4-enoate
CID 4988079
[1-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylhex-5-enoate
CID 6606831
[(2S)-2-[[(2S)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]-2-phenylethyl] pent-4-enoate
CID 135739040
[1-[[(2R)-2-[2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylpent-4-enoate
CID 6605290
[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylhex-5-enoate
CID 6606855
[1-[[(2R)-2-[2-[[1-(hydroxymethyl)cyclopentyl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl (2R)-2-benzylpent-4-enoate
CID 6606851
(2R)-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-N'-[(2R)-1-hydroxypropan-2-yl]-2-prop-2-enylbutanediamide
CID 6605553

Frequently Asked Questions

What is the IUPAC name of [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate?
The IUPAC name of [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate (CID 6605465) is [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate.
What is the SMILES notation for [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate?
The canonical SMILES for [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate is C=CCCC(=O)OCC1(NC(=O)[C@H](CC=C)CC(=O)N[C@H](C)CO)CCCC1.
What is the InChIKey of [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate?
The InChIKey is MXVPPHBJGAERAG-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-4-6-10-19(26)28-15-21(11-7-8-12-21)23-20(27)17(9-5-2)13-18(25)22-16(3)14-24/h4-5,16-17,24H,1-2,6-15H2,3H3,(H,22,25)(H,23,27)/t16-,17-/m1/s1.
What are the key properties of [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate?
[1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate has a molecular weight of 394.51 g/mol, XLogP of 2.00, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2R)-2-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]pent-4-enoyl]amino]cyclopentyl]methyl pent-4-enoate is sourced from PubChem (CID 6605465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).