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

C13H24N2O3 — CID 107566820

IUPAC(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-5-11(12(16)17)14-13(18)15-7-6-9(2)8-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyAJAPKJIOSBTIMB-ILDUYXDCSA-N
MW256.35 g/mol
LogP2.07
Rot. Bonds4

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

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 107566820) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID107566820
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-5-11(12(16)17)14-13(18)15-7-6-9(2)8-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1
InChIKeyAJAPKJIOSBTIMB-ILDUYXDCSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
(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
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63304867
(2S)-2-[(4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107566997
2-cyclopropyl-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 55107825
(2R)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 107567758
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
(2S)-2-[(2-carbamoylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566579
(2R)-2-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]pentanoic acid
CID 107567722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid (CID 107566820) is (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)N1CCC(C)CC1C)C(=O)O.
What is the InChIKey of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is AJAPKJIOSBTIMB-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-5-11(12(16)17)14-13(18)15-7-6-9(2)8-10(15)3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid?
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.07, 4 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]pentanoic acid is sourced from PubChem (CID 107566820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).