(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid

C15H18N2O6 — CID 91439797

IUPAC(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
SMILESO=C(N[C@@H]1CCN(C(=O)O)C[C@@H]1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H18N2O6/c18-13(19)11-8-17(15(21)22)7-6-12(11)16-14(20)23-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,20)(H,18,19)(H,21,22)/t11-,12+/m0/s1
InChIKeyURQWNVMSRBCGTH-NWDGAFQWSA-N
MW322.32 g/mol
LogP1.37
Rot. Bonds4

About (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid

(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid (PubChem CID 91439797) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
PubChem CID91439797
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
SMILESO=C(N[C@@H]1CCN(C(=O)O)C[C@@H]1C(=O)O)OCc1ccccc1
InChIInChI=1S/C15H18N2O6/c18-13(19)11-8-17(15(21)22)7-6-12(11)16-14(20)23-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,20)(H,18,19)(H,21,22)/t11-,12+/m0/s1
InChIKeyURQWNVMSRBCGTH-NWDGAFQWSA-N
XLogP1.37
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic 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

(3S,4S)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid
CID 145450382
(3S,4R)-1-methyl-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 66775278
(3S,4R)-1-(2-hydroxyethyl)-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 67503446
(3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid
CID 91321164
(3S,4R)-4-(benzylamino)piperidine-1,3-dicarboxylic acid
CID 90844660
benzyl N-(1-carbamoyl-3-methoxypiperidin-4-yl)carbamate
CID 140558127
benzyl N-(1-azabicyclo[3.3.1]nonan-4-yl)carbamate
CID 130993442
(1S,6S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 7157276
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
[(3S,4R)-3-(phenylmethoxycarbonylamino)-1-(2,2,2-trifluoroacetyl)piperidin-4-yl]carbamic acid
CID 141335305
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid?
The IUPAC name of (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid (CID 91439797) is (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid.
What is the SMILES notation for (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid?
The canonical SMILES for (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid is O=C(N[C@@H]1CCN(C(=O)O)C[C@@H]1C(=O)O)OCc1ccccc1.
What is the InChIKey of (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid?
The InChIKey is URQWNVMSRBCGTH-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H18N2O6/c18-13(19)11-8-17(15(21)22)7-6-12(11)16-14(20)23-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,20)(H,18,19)(H,21,22)/t11-,12+/m0/s1.
What are the key properties of (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid?
(3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylic acid is sourced from PubChem (CID 91439797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).