(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide

C20H24N2O6 — CID 6723110

IUPAC(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](CO)C(=O)NC3CCCC3)cc(=O)oc2c1
InChIInChI=1S/C20H24N2O6/c1-27-14-6-7-15-12(9-19(25)28-17(15)10-14)8-18(24)22-16(11-23)20(26)21-13-4-2-3-5-13/h6-7,9-10,13,16,23H,2-5,8,11H2,1H3,(H,21,26)(H,22,24)/t16-/m0/s1
InChIKeyGLONRCVYJDSGAW-INIZCTEOSA-N
MW388.42 g/mol
LogP0.88
Rot. Bonds7

About (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide

(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide (PubChem CID 6723110) has the molecular formula C20H24N2O6 and a molecular weight of 388.42 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
PubChem CID6723110
Molecular FormulaC20H24N2O6
Molecular Weight388.42 g/mol
Exact Mass388.16
IUPAC Name(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
SMILESCOc1ccc2c(CC(=O)N[C@@H](CO)C(=O)NC3CCCC3)cc(=O)oc2c1
InChIInChI=1S/C20H24N2O6/c1-27-14-6-7-15-12(9-19(25)28-17(15)10-14)8-18(24)22-16(11-23)20(26)21-13-4-2-3-5-13/h6-7,9-10,13,16,23H,2-5,8,11H2,1H3,(H,21,26)(H,22,24)/t16-/m0/s1
InChIKeyGLONRCVYJDSGAW-INIZCTEOSA-N
XLogP0.88
TPSA117.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohexylmethyl)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide
CID 4608789
(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 6723132
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
2-[[2-(3-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-N-cyclopentyl-3-hydroxypropanamide
CID 4085923
N-cycloheptyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2477196
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
N-[3-hydroxy-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide
CID 3379087
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 2445277
N-cycloheptyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998192
N-cyclohexyl-7-methoxy-4-oxochromene-2-carboxamide
CID 51998191

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide (CID 6723110) is (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide is COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)NC3CCCC3)cc(=O)oc2c1.
What is the InChIKey of (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
The InChIKey is GLONRCVYJDSGAW-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O6/c1-27-14-6-7-15-12(9-19(25)28-17(15)10-14)8-18(24)22-16(11-23)20(26)21-13-4-2-3-5-13/h6-7,9-10,13,16,23H,2-5,8,11H2,1H3,(H,21,26)(H,22,24)/t16-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide?
(2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide has a molecular weight of 388.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanamide is sourced from PubChem (CID 6723110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).