2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid

C11H20N2O3 — CID 104903696

IUPAC2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C11H20N2O3/c1-4-5-13(7-10(14)15)11(16)9(12)6-8(2)3/h4,8-9H,1,5-7,12H2,2-3H3,(H,14,15)/t9-/m1/s1
InChIKeyNOCHVXDHPXUTJH-SECBINFHSA-N
MW228.29 g/mol
LogP0.46
Rot. Bonds7

About 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid

2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid (PubChem CID 104903696) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
PubChem CID104903696
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)[C@H](N)CC(C)C
InChIInChI=1S/C11H20N2O3/c1-4-5-13(7-10(14)15)11(16)9(12)6-8(2)3/h4,8-9H,1,5-7,12H2,2-3H3,(H,14,15)/t9-/m1/s1
InChIKeyNOCHVXDHPXUTJH-SECBINFHSA-N
XLogP0.46
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid (CID 104903696) is 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)[C@H](N)CC(C)C.
What is the InChIKey of 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid?
The InChIKey is NOCHVXDHPXUTJH-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-5-13(7-10(14)15)11(16)9(12)6-8(2)3/h4,8-9H,1,5-7,12H2,2-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid?
2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-4-methylpentanoyl]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 104903696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).