2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid

C11H20N2O3 — CID 103869509

IUPAC2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)[C@@H]1CCCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-5-9(11(15)16)13-10(14)8-6-3-4-7-12-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m0/s1
InChIKeyBWFYHSCMZRPBRL-IENPIDJESA-N
MW228.29 g/mol
LogP0.50
Rot. Bonds5

About 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid

2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid (PubChem CID 103869509) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
PubChem CID103869509
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)[C@@H]1CCCCN1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-5-9(11(15)16)13-10(14)8-6-3-4-7-12-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m0/s1
InChIKeyBWFYHSCMZRPBRL-IENPIDJESA-N
XLogP0.50
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913581
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 104901043
(2S)-5-amino-2-(azepane-2-carbonylamino)-5-oxopentanoic acid
CID 64564036
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid;hydrate
CID 71408310
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399
(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid (CID 103869509) is 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid is CCCC(NC(=O)[C@@H]1CCCCN1)C(=O)O.
What is the InChIKey of 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid?
The InChIKey is BWFYHSCMZRPBRL-IENPIDJESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-5-9(11(15)16)13-10(14)8-6-3-4-7-12-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9?/m0/s1.
What are the key properties of 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid?
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 103869509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).