(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid

C11H19NO4 — CID 59617618

IUPAC(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid
SMILESC=CCCCOC(=O)N[C@@H](CCC)C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-5-6-8-16-11(15)12-9(7-4-2)10(13)14/h3,9H,1,4-8H2,2H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyOGMRLLPOVDBUHZ-VIFPVBQESA-N
MW229.28 g/mol
LogP1.93
Rot. Bonds8

About (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid

(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid (PubChem CID 59617618) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid
PubChem CID59617618
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid
SMILESC=CCCCOC(=O)N[C@@H](CCC)C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-5-6-8-16-11(15)12-9(7-4-2)10(13)14/h3,9H,1,4-8H2,2H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyOGMRLLPOVDBUHZ-VIFPVBQESA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid 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

nonyl 2-(prop-2-enoxycarbonylamino)pentanoate
CID 91722486
2-(butoxycarbonylamino)octanoic acid
CID 87548518
(2S)-2-(butoxycarbonylamino)-4-methylsulfanylbutanoic acid
CID 54317613
(2S)-4-hydroxy-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 103845923
2-(hex-5-enoxycarbonylamino)-3,3-dimethylbutanoic acid
CID 75113125
dodecyl 2-(prop-2-enoxycarbonylamino)octanoate
CID 91732520
undec-10-enyl 2-(butoxycarbonylamino)propanoate
CID 6423167
heptadecyl 2-(prop-2-enoxycarbonylamino)hexanoate
CID 91725598
(2R)-2-(butoxycarbonylamino)-3-methylsulfanylpropanoic acid
CID 89488199
2-(prop-2-enoylamino)pentanoic acid
CID 18798141
pentyl 2-(hexoxycarbonylamino)pent-4-enoate
CID 91691970
pentyl 2-(octoxycarbonylamino)pent-4-enoate
CID 91736081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid (CID 59617618) is (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid is C=CCCCOC(=O)N[C@@H](CCC)C(=O)O.
What is the InChIKey of (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid?
The InChIKey is OGMRLLPOVDBUHZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-5-6-8-16-11(15)12-9(7-4-2)10(13)14/h3,9H,1,4-8H2,2H3,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid?
(2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pent-4-enoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 59617618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).