(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid

C14H26N2O3 — CID 107145998

IUPAC(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-5-6-12(13(17)18)15-14(19)16-8-7-10(2)9-11(16)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,11?,12-/m0/s1
InChIKeyGTMJGAVMAVUMQO-MCIGGMRASA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid (PubChem CID 107145998) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
PubChem CID107145998
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-5-6-12(13(17)18)15-14(19)16-8-7-10(2)9-11(16)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,11?,12-/m0/s1
InChIKeyGTMJGAVMAVUMQO-MCIGGMRASA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 62329877
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63304867
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55107825
(2S)-2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]hexanoic acid
CID 107146655
(2S)-2-[(4-aminopiperidine-1-carbonyl)amino]hexanoic acid
CID 107145596
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
(2S)-2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145229
1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744100

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid (CID 107145998) is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid is CCCC[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid?
The InChIKey is GTMJGAVMAVUMQO-MCIGGMRASA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-5-6-12(13(17)18)15-14(19)16-8-7-10(2)9-11(16)3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)/t10?,11?,12-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid?
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 107145998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).