7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid

C16H22N2O4 — CID 87290425

IUPAC7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
InChIInChI=1S/C10H9NO2.C6H13NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;1-4(2)3-5(7)6(8)9/h2-5H,11H2,1H3;4-5H,3,7H2,1-2H3,(H,8,9)/t;5-/m.0/s1
InChIKeyIWFAIEVZVGTOHS-ZSCHJXSPSA-N
MW306.36 g/mol
LogP2.13
Rot. Bonds3

About 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid

7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid (PubChem CID 87290425) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid.

Molecular Properties

Compound Name7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid
PubChem CID87290425
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid
SMILESCC(C)C[C@H](N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12
InChIInChI=1S/C10H9NO2.C6H13NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;1-4(2)3-5(7)6(8)9/h2-5H,11H2,1H3;4-5H,3,7H2,1-2H3,(H,8,9)/t;5-/m.0/s1
InChIKeyIWFAIEVZVGTOHS-ZSCHJXSPSA-N
XLogP2.13
TPSA119.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic 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

7-amino-4-methylchromen-2-one;bis(2-amino-4-methylpentanoic acid)
CID 174593861
2-aminoacetic acid;7-amino-4-methylchromen-2-one;hydrochloride
CID 87630650
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
(2S)-2-amino-3-(7-amino-2-oxochromen-4-yl)propanoic acid
CID 88589779
7-amino-4-methylchromen-2-one;formyl chloride
CID 175535632
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoyl]amino]hexanoic acid;7-amino-4-methylchromen-2-one
CID 87702884
7-amino-4-propan-2-ylchromen-2-one
CID 134375353
2-methylpropyl 2-(4-methyl-2-oxochromen-7-yl)oxypropanoate
CID 23883278
7-aminochromen-2-one;(2S)-2-aminopropanoic acid
CID 87395737
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527
2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid?
The IUPAC name of 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid (CID 87290425) is 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid.
What is the SMILES notation for 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid?
The canonical SMILES for 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid is CC(C)C[C@H](N)C(=O)O.Cc1cc(=O)oc2cc(N)ccc12.
What is the InChIKey of 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid?
The InChIKey is IWFAIEVZVGTOHS-ZSCHJXSPSA-N. The full InChI is InChI=1S/C10H9NO2.C6H13NO2/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9;1-4(2)3-5(7)6(8)9/h2-5H,11H2,1H3;4-5H,3,7H2,1-2H3,(H,8,9)/t;5-/m.0/s1.
What are the key properties of 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid?
7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid has a molecular weight of 306.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methylchromen-2-one;(2S)-2-amino-4-methylpentanoic acid is sourced from PubChem (CID 87290425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).