4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid

C14H26N2O3 — CID 107475538

IUPAC4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)8-10(13(18)19)9-16-12(17)11-6-4-5-7-15-11/h10-11,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLCBQKIOONGRVKC-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.38
Rot. Bonds5

About 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid

4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid (PubChem CID 107475538) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
PubChem CID107475538
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid
SMILESCC(C)(C)CC(CNC(=O)C1CCCCN1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)8-10(13(18)19)9-16-12(17)11-6-4-5-7-15-11/h10-11,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyLCBQKIOONGRVKC-UHFFFAOYSA-N
XLogP1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542
4,4-dimethyl-2-[[(4-methylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
CID 107475534
4,4-dimethyl-2-[(thiomorpholine-3-carbonylamino)methyl]pentanoic acid
CID 107475624
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
2-[(cyclohexanecarbonylamino)methyl]-4,4-dimethylpentanoic acid
CID 107473827
2-methoxy-3-(piperidine-2-carbonylamino)propanoic acid
CID 106109025
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(2,3-dihydroxypropyl)piperidine-2-carboxamide
CID 66170810
N-(2-cyclopropylpropyl)azocane-2-carboxamide
CID 114240217
(2R)-N-[2-(dimethylamino)propyl]piperidine-2-carboxamide
CID 103814112
N-(2-methoxypropyl)azepane-2-carboxamide
CID 102694927

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid?
The IUPAC name of 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid (CID 107475538) is 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid is CC(C)(C)CC(CNC(=O)C1CCCCN1)C(=O)O.
What is the InChIKey of 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid?
The InChIKey is LCBQKIOONGRVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)8-10(13(18)19)9-16-12(17)11-6-4-5-7-15-11/h10-11,15H,4-9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid?
4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(piperidine-2-carbonylamino)methyl]pentanoic acid is sourced from PubChem (CID 107475538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).