[(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid

C16H23N3O4 — CID 134327167

IUPAC[(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](CO)C(=O)Nc1ccccc1NC1CCCCC1
InChIInChI=1S/C16H23N3O4/c20-10-14(19-16(22)23)15(21)18-13-9-5-4-8-12(13)17-11-6-2-1-3-7-11/h4-5,8-9,11,14,17,19-20H,1-3,6-7,10H2,(H,18,21)(H,22,23)/t14-/m1/s1
InChIKeyTVNTXLMQJYSBNC-CQSZACIVSA-N
MW321.38 g/mol
LogP2.00
Rot. Bonds6

About [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid

[(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid (PubChem CID 134327167) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
PubChem CID134327167
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid
SMILESO=C(O)N[C@H](CO)C(=O)Nc1ccccc1NC1CCCCC1
InChIInChI=1S/C16H23N3O4/c20-10-14(19-16(22)23)15(21)18-13-9-5-4-8-12(13)17-11-6-2-1-3-7-11/h4-5,8-9,11,14,17,19-20H,1-3,6-7,10H2,(H,18,21)(H,22,23)/t14-/m1/s1
InChIKeyTVNTXLMQJYSBNC-CQSZACIVSA-N
XLogP2.00
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclohexylamino)phenyl]-3-hydroxypropanamide
CID 134342494
N-[2-(cyclohexylamino)phenyl]-2-pyridin-1-ium-1-ylacetamide
CID 19993619
(2S)-N-cyclopentyl-3-hydroxy-2-(2-phenylpropanoylamino)propanamide
CID 6667454
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741
3-benzoyl-N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]benzamide
CID 6723604
N-(2-acetamidophenyl)-2,2-dicyclohexylacetamide
CID 11175727
(2S)-N-cyclooctyl-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 6724215
N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 6722885
3-(cyclohexylamino)-2-methylbenzoic acid
CID 43737301
2-benzylsulfanyl-N-cyclohexylaniline
CID 67941937
N-cyclopentyl-3-hydroxy-2-[(2-naphthalen-2-ylacetyl)amino]propanamide
CID 3602543

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid (CID 134327167) is [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid is O=C(O)N[C@H](CO)C(=O)Nc1ccccc1NC1CCCCC1.
What is the InChIKey of [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
The InChIKey is TVNTXLMQJYSBNC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-10-14(19-16(22)23)15(21)18-13-9-5-4-8-12(13)17-11-6-2-1-3-7-11/h4-5,8-9,11,14,17,19-20H,1-3,6-7,10H2,(H,18,21)(H,22,23)/t14-/m1/s1.
What are the key properties of [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid?
[(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid has a molecular weight of 321.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(cyclohexylamino)anilino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 134327167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).