(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid

C14H26N2O3 — CID 103869655

IUPAC(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)[C@@H]1CCCCN1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)/t11-,12-/m0/s1
InChIKeyYIBJJADESILGNG-RYUDHWBXSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds7

About (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid

(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid (PubChem CID 103869655) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid.

Molecular Properties

Compound Name(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
PubChem CID103869655
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid
SMILESCC(C)C[C@H](CNC(=O)[C@@H]1CCCCN1)CC(=O)O
InChIInChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)/t11-,12-/m0/s1
InChIKeyYIBJJADESILGNG-RYUDHWBXSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(azepane-2-carbonylamino)methyl]pentanoic acid
CID 81072934
N-[2-(2-hydroxyethyl)-4-methylpentyl]piperidine-2-carboxamide
CID 119343080
(2R)-N-(2-hydroxy-4-methylpentyl)piperidine-2-carboxamide
CID 103812099
3-methoxy-4-(piperidine-2-carbonylamino)butanoic acid
CID 103157185
(2R)-N-[2-(dimethylamino)-4-methylpentyl]piperidine-2-carboxamide
CID 113267374
5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493096
(3S)-5-methyl-3-[[(5-oxopyrrolidine-2-carbonyl)amino]methyl]hexanoic acid
CID 65493069
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
4-methyl-5-(piperidine-2-carbonylamino)pentanoic acid
CID 82688811
5-methyl-3-[(piperidine-3-carbonylamino)methyl]hexanoic acid
CID 65492071
(2S)-4-methyl-2-(piperidine-2-carbonylamino)pentanoic acid
CID 61160577
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060

Frequently Asked Questions

What is the IUPAC name of (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid?
The IUPAC name of (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid (CID 103869655) is (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid.
What is the SMILES notation for (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid?
The canonical SMILES for (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid is CC(C)C[C@H](CNC(=O)[C@@H]1CCCCN1)CC(=O)O.
What is the InChIKey of (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid?
The InChIKey is YIBJJADESILGNG-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)7-11(8-13(17)18)9-16-14(19)12-5-3-4-6-15-12/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)/t11-,12-/m0/s1.
What are the key properties of (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid?
(3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-methyl-3-[[[(2S)-piperidine-2-carbonyl]amino]methyl]hexanoic acid is sourced from PubChem (CID 103869655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).