(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

C13H24N2O4 — CID 107836459

IUPAC(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCC[C@H](O)C(=O)O)CCCNC1
InChIInChI=1S/C13H24N2O4/c1-2-5-13(6-3-7-14-9-13)12(19)15-8-4-10(16)11(17)18/h10,14,16H,2-9H2,1H3,(H,15,19)(H,17,18)/t10-,13?/m0/s1
InChIKeyUTNGJMPHWAOMLJ-NKUHCKNESA-N
MW272.34 g/mol
LogP0.11
Rot. Bonds7

About (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 107836459) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID107836459
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NCC[C@H](O)C(=O)O)CCCNC1
InChIInChI=1S/C13H24N2O4/c1-2-5-13(6-3-7-14-9-13)12(19)15-8-4-10(16)11(17)18/h10,14,16H,2-9H2,1H3,(H,15,19)(H,17,18)/t10-,13?/m0/s1
InChIKeyUTNGJMPHWAOMLJ-NKUHCKNESA-N
XLogP0.11
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
(2S)-4-[(1-ethylcyclopentanecarbonyl)amino]-2-hydroxybutanoic acid
CID 107834001
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
2-hydroxy-4-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 114006844
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 79799194
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
3-[(3-ethylpiperidine-3-carbonyl)amino]propanoic acid
CID 63131870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (CID 107836459) is (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is CCCC1(C(=O)NCC[C@H](O)C(=O)O)CCCNC1.
What is the InChIKey of (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is UTNGJMPHWAOMLJ-NKUHCKNESA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-5-13(6-3-7-14-9-13)12(19)15-8-4-10(16)11(17)18/h10,14,16H,2-9H2,1H3,(H,15,19)(H,17,18)/t10-,13?/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107836459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).