(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid

C14H19N3O5S — CID 119367985

IUPAC(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
SMILESNS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O5S/c15-23(21,22)17-8-6-11(7-9-17)13(18)16-12(14(19)20)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18)(H,19,20)(H2,15,21,22)/t12-/m1/s1
InChIKeyCCVYXLLQACZWFB-GFCCVEGCSA-N
MW341.39 g/mol
LogP-0.16
Rot. Bonds5

About (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid

(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid (PubChem CID 119367985) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
PubChem CID119367985
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid
SMILESNS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C14H19N3O5S/c15-23(21,22)17-8-6-11(7-9-17)13(18)16-12(14(19)20)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18)(H,19,20)(H2,15,21,22)/t12-/m1/s1
InChIKeyCCVYXLLQACZWFB-GFCCVEGCSA-N
XLogP-0.16
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
N-[(1S)-1-phenylbutyl]-1-sulfamoylpiperidine-4-carboxamide
CID 31977352
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
(2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidine-4-carbonyl]amino]-2-phenylacetic acid;hydrochloride
CID 52994086
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
N-[1-(2-chlorophenyl)ethyl]-1-sulfamoylpiperidine-4-carboxamide
CID 43072355
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
(2S)-2-[[1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119028557
(2R)-2-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]-2-phenylacetic acid
CID 119368013
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidine-4-carboxamide
CID 42378517

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid?
The IUPAC name of (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid (CID 119367985) is (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid is NS(=O)(=O)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid?
The InChIKey is CCVYXLLQACZWFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O5S/c15-23(21,22)17-8-6-11(7-9-17)13(18)16-12(14(19)20)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,18)(H,19,20)(H2,15,21,22)/t12-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid?
(2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid has a molecular weight of 341.39 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[(1-sulfamoylpiperidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 119367985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).