(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid

C14H25N3O4 — CID 107145793

IUPAC(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCCCC1C(=O)NC)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-3-4-7-10(13(19)20)16-14(21)17-9-6-5-8-11(17)12(18)15-2/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t10-,11?/m0/s1
InChIKeyDGHAZJHKUVVOQD-VUWPPUDQSA-N
MW299.37 g/mol
LogP0.94
Rot. Bonds6

About (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid

(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid (PubChem CID 107145793) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
PubChem CID107145793
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCCCC1C(=O)NC)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-3-4-7-10(13(19)20)16-14(21)17-9-6-5-8-11(17)12(18)15-2/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t10-,11?/m0/s1
InChIKeyDGHAZJHKUVVOQD-VUWPPUDQSA-N
XLogP0.94
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 62472702
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2S)-2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]hexanoic acid
CID 107146655
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
CID 97338754
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722
3-[2-(methylcarbamoyl)piperidine-1-carbonyl]-2-[2-(methylcarbamoyl)piperidin-1-yl]octanoic acid
CID 139919241
(2S)-1-(hexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 55050550
(2S)-4-hydroxy-2-[(2-propylpiperidine-1-carbonyl)amino]butanoic acid
CID 107828734
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid (CID 107145793) is (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCCCC1C(=O)NC)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid?
The InChIKey is DGHAZJHKUVVOQD-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-3-4-7-10(13(19)20)16-14(21)17-9-6-5-8-11(17)12(18)15-2/h10-11H,3-9H2,1-2H3,(H,15,18)(H,16,21)(H,19,20)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid?
(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 107145793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).