2-amino-5-(prop-2-enoylamino)pentanoic acid

C8H14N2O3 — CID 10197981

IUPAC2-amino-5-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-7(11)10-5-3-4-6(9)8(12)13/h2,6H,1,3-5,9H2,(H,10,11)(H,12,13)
InChIKeyHNRQUDVWKBDXFB-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.52
Rot. Bonds6

About 2-amino-5-(prop-2-enoylamino)pentanoic acid

2-amino-5-(prop-2-enoylamino)pentanoic acid (PubChem CID 10197981) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-amino-5-(prop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(prop-2-enoylamino)pentanoic acid
PubChem CID10197981
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-amino-5-(prop-2-enoylamino)pentanoic acid
SMILESC=CC(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C8H14N2O3/c1-2-7(11)10-5-3-4-6(9)8(12)13/h2,6H,1,3-5,9H2,(H,10,11)(H,12,13)
InChIKeyHNRQUDVWKBDXFB-UHFFFAOYSA-N
XLogP-0.52
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(prop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-amino-5-(prop-2-enoylamino)pentanoic acid (CID 10197981) is 2-amino-5-(prop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(prop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(prop-2-enoylamino)pentanoic acid is C=CC(=O)NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(prop-2-enoylamino)pentanoic acid?
The InChIKey is HNRQUDVWKBDXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-2-7(11)10-5-3-4-6(9)8(12)13/h2,6H,1,3-5,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-amino-5-(prop-2-enoylamino)pentanoic acid?
2-amino-5-(prop-2-enoylamino)pentanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(prop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 10197981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).