2-(pent-4-enoylamino)acetic acid

C7H11NO3 — CID 45082235

IUPAC2-(pent-4-enoylamino)acetic acid
SMILESC=CCCC(=O)NCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-3-4-6(9)8-5-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyPVVCNIBHCQRXDB-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.15
Rot. Bonds5

About 2-(pent-4-enoylamino)acetic acid

2-(pent-4-enoylamino)acetic acid (PubChem CID 45082235) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(pent-4-enoylamino)acetic acid.

Molecular Properties

Compound Name2-(pent-4-enoylamino)acetic acid
PubChem CID45082235
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(pent-4-enoylamino)acetic acid
SMILESC=CCCC(=O)NCC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-3-4-6(9)8-5-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11)
InChIKeyPVVCNIBHCQRXDB-UHFFFAOYSA-N
XLogP0.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-enoylamino)acetic acid?
The IUPAC name of 2-(pent-4-enoylamino)acetic acid (CID 45082235) is 2-(pent-4-enoylamino)acetic acid.
What is the SMILES notation for 2-(pent-4-enoylamino)acetic acid?
The canonical SMILES for 2-(pent-4-enoylamino)acetic acid is C=CCCC(=O)NCC(=O)O.
What is the InChIKey of 2-(pent-4-enoylamino)acetic acid?
The InChIKey is PVVCNIBHCQRXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-4-6(9)8-5-7(10)11/h2H,1,3-5H2,(H,8,9)(H,10,11).
What are the key properties of 2-(pent-4-enoylamino)acetic acid?
2-(pent-4-enoylamino)acetic acid has a molecular weight of 157.17 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-enoylamino)acetic acid is sourced from PubChem (CID 45082235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).