(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid

C12H22N2O4 — CID 107566112

IUPAC(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-3-10(11(16)17)13-12(18)14-6-4-9(8-15)5-7-14/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyBBEYERWUKLXQAR-SNVBAGLBSA-N
MW258.32 g/mol
LogP0.65
Rot. Bonds5

About (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid

(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid (PubChem CID 107566112) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
PubChem CID107566112
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
SMILESCCC[C@@H](NC(=O)N1CCC(CO)CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-2-3-10(11(16)17)13-12(18)14-6-4-9(8-15)5-7-14/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyBBEYERWUKLXQAR-SNVBAGLBSA-N
XLogP0.65
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-4-methylsulfonylbutanoic acid
CID 61196473
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826001
(2R)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 107830532
(2S)-5-amino-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 61196853
(2S)-4-hydroxy-2-[(4-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107827463
(2R)-2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566773
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
(2S)-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566429
(2S)-4-hydroxy-2-[(3-propylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 107828904

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The IUPAC name of (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid (CID 107566112) is (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid is CCC[C@@H](NC(=O)N1CCC(CO)CC1)C(=O)O.
What is the InChIKey of (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid?
The InChIKey is BBEYERWUKLXQAR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-3-10(11(16)17)13-12(18)14-6-4-9(8-15)5-7-14/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid?
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107566112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).