[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium

C19H19N2O4+ — CID 7408691

IUPAC[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium
SMILESCc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)ccc12
InChIInChI=1S/C19H18N2O4/c1-11-8-18(23)25-17-10-13(4-7-15(11)17)21-19(24)16(20)9-12-2-5-14(22)6-3-12/h2-8,10,16,22H,9,20H2,1H3,(H,21,24)/p+1/t16-/m0/s1
InChIKeyNRGJYQDVMUOJLU-INIZCTEOSA-O
MW339.37 g/mol
LogP1.60
Rot. Bonds4

About [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium

[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium (PubChem CID 7408691) has the molecular formula C19H19N2O4+ and a molecular weight of 339.37 g/mol. Its IUPAC name is [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium
PubChem CID7408691
Molecular FormulaC19H19N2O4+
Molecular Weight339.37 g/mol
Exact Mass339.13
IUPAC Name[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium
SMILESCc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)ccc12
InChIInChI=1S/C19H18N2O4/c1-11-8-18(23)25-17-10-13(4-7-15(11)17)21-19(24)16(20)9-12-2-5-14(22)6-3-12/h2-8,10,16,22H,9,20H2,1H3,(H,21,24)/p+1/t16-/m0/s1
InChIKeyNRGJYQDVMUOJLU-INIZCTEOSA-O
XLogP1.60
TPSA107.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium 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

(2R)-2-amino-N-[(2R)-1-[[(2R)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 171395623
(2S)-2-amino-N-[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylpentanamide
CID 71771371
2-methyl-N-[4-[3-[(4-methyl-2-oxochromen-7-yl)amino]-3-oxopropyl]phenyl]propanamide
CID 134132292
2-amino-4-methyl-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 5141464
(2S)-2-amino-N-(4-methyl-2-oxochromen-7-yl)-4-sulfanylbutanamide
CID 71774819
[7-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-oxochromen-4-yl]methylphosphonous acid
CID 167213722
4-[[2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-5-[[1-[[3-carboxy-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 134081816
(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 10009795
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide
CID 74319438
N-(4-methyl-2-oxochromen-7-yl)-2-phenylpentanamide
CID 16551195
(2S)-2,5-diamino-N-(4-methyl-2-oxochromen-7-yl)pentanamide;hydrochloride
CID 129319301

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium?
The IUPAC name of [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium (CID 7408691) is [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium?
The canonical SMILES for [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium is Cc1cc(=O)oc2cc(NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)ccc12.
What is the InChIKey of [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium?
The InChIKey is NRGJYQDVMUOJLU-INIZCTEOSA-O. The full InChI is InChI=1S/C19H18N2O4/c1-11-8-18(23)25-17-10-13(4-7-15(11)17)21-19(24)16(20)9-12-2-5-14(22)6-3-12/h2-8,10,16,22H,9,20H2,1H3,(H,21,24)/p+1/t16-/m0/s1.
What are the key properties of [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium?
[(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium has a molecular weight of 339.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-(4-hydroxyphenyl)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 7408691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).