4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid

C17H25N3O5 — CID 141360065

IUPAC4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid
SMILESO=C(NC[C@H](O)CNC1CCN(C(=O)O)CC1)OCc1ccccc1
InChIInChI=1S/C17H25N3O5/c21-15(10-18-14-6-8-20(9-7-14)17(23)24)11-19-16(22)25-12-13-4-2-1-3-5-13/h1-5,14-15,18,21H,6-12H2,(H,19,22)(H,23,24)/t15-/m1/s1
InChIKeyXEIGVNPRKQTAKL-OAHLLOKOSA-N
MW351.40 g/mol
LogP1.01
Rot. Bonds7

About 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid

4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid (PubChem CID 141360065) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid
PubChem CID141360065
Molecular FormulaC17H25N3O5
Molecular Weight351.40 g/mol
Exact Mass351.18
IUPAC Name4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid
SMILESO=C(NC[C@H](O)CNC1CCN(C(=O)O)CC1)OCc1ccccc1
InChIInChI=1S/C17H25N3O5/c21-15(10-18-14-6-8-20(9-7-14)17(23)24)11-19-16(22)25-12-13-4-2-1-3-5-13/h1-5,14-15,18,21H,6-12H2,(H,19,22)(H,23,24)/t15-/m1/s1
InChIKeyXEIGVNPRKQTAKL-OAHLLOKOSA-N
XLogP1.01
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic 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

benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455
tert-butyl 4-[2-(phenylmethoxycarbonylamino)ethylamino]piperidine-1-carboxylate
CID 18971591
benzyl (3R)-3-anilinopyrrolidine-1-carboxylate
CID 171854263
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
benzyl N-[2-(3-aminopyrrolidin-1-yl)-2-oxoethyl]carbamate;hydrochloride
CID 126843068
benzyl (3S)-3-(cyclopropylmethylamino)pyrrolidine-1-carboxylate
CID 168979000
2-[[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66564221
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(2R)-2-hydroxy-3-phenoxypropyl]carbamate
CID 102235547
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid (CID 141360065) is 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid is O=C(NC[C@H](O)CNC1CCN(C(=O)O)CC1)OCc1ccccc1.
What is the InChIKey of 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid?
The InChIKey is XEIGVNPRKQTAKL-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O5/c21-15(10-18-14-6-8-20(9-7-14)17(23)24)11-19-16(22)25-12-13-4-2-1-3-5-13/h1-5,14-15,18,21H,6-12H2,(H,19,22)(H,23,24)/t15-/m1/s1.
What are the key properties of 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid?
4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-hydroxy-3-(phenylmethoxycarbonylamino)propyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 141360065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).