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

C9H16N2O3 — CID 58271806

IUPAC2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)8(12)11-5-3-4-7(10)9(13)14/h7H,1,3-5,10H2,2H3,(H,11,12)(H,13,14)
InChIKeyGQZGWXPMENEFQH-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.13
Rot. Bonds6

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

2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid (PubChem CID 58271806) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid
PubChem CID58271806
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid
SMILESC=C(C)C(=O)NCCCC(N)C(=O)O
InChIInChI=1S/C9H16N2O3/c1-6(2)8(12)11-5-3-4-7(10)9(13)14/h7H,1,3-5,10H2,2H3,(H,11,12)(H,13,14)
InChIKeyGQZGWXPMENEFQH-UHFFFAOYSA-N
XLogP-0.13
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.13
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-(2-methylprop-2-enoylamino)pentanoic acid?
The IUPAC name of 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid (CID 58271806) is 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid?
The canonical SMILES for 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid is C=C(C)C(=O)NCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid?
The InChIKey is GQZGWXPMENEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)8(12)11-5-3-4-7(10)9(13)14/h7H,1,3-5,10H2,2H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid?
2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methylprop-2-enoylamino)pentanoic acid is sourced from PubChem (CID 58271806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).