(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid

C11H20N2O3 — CID 107565163

IUPAC(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@H]1CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-4-9(11(15)16)13-10(14)8-5-3-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKeyMFDNVHXPCHLEOX-IUCAKERBSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds5

About (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid

(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid (PubChem CID 107565163) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
PubChem CID107565163
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@H]1CCCNC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-4-9(11(15)16)13-10(14)8-5-3-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1
InChIKeyMFDNVHXPCHLEOX-IUCAKERBSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
N-pentan-2-ylpiperidine-3-carboxamide
CID 18072818
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
N-hex-1-yn-3-ylpiperidine-3-carboxamide
CID 106230711
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid (CID 107565163) is (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid is CCC[C@H](NC(=O)[C@H]1CCCNC1)C(=O)O.
What is the InChIKey of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is MFDNVHXPCHLEOX-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-4-9(11(15)16)13-10(14)8-5-3-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1.
What are the key properties of (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid?
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 107565163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).