2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid

C16H30N2O3 — CID 62083485

IUPAC2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)10-13(14(19)20)17-15(21)18-8-6-12(7-9-18)16(3,4)5/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyMTMAOCXTGYGGOL-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.95
Rot. Bonds4

About 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid

2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 62083485) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
PubChem CID62083485
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)N1CCC(C(C)(C)C)CC1)C(=O)O
InChIInChI=1S/C16H30N2O3/c1-11(2)10-13(14(19)20)17-15(21)18-8-6-12(7-9-18)16(3,4)5/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20)
InChIKeyMTMAOCXTGYGGOL-UHFFFAOYSA-N
XLogP2.95
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61199167
(2R)-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 104874475
(2R)-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-methylpentanoic acid
CID 78975872
(2R)-2-[[4-(cyclopropylmethyl)piperazine-1-carbonyl]amino]-4-methylpentanoic acid
CID 78976051
(2R)-4-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]pentanoic acid
CID 79165632
2-[(3-tert-butylpyrrolidine-1-carbonyl)amino]-3-methoxypropanoic acid
CID 113418214
(2R)-4-methyl-2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 78944969
(2S)-2-[(4-formylpiperazine-1-carbonyl)amino]-4-methylpentanoic acid
CID 28509444
2-[(3-hydroxypiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61438947
(2S)-2-[[(2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 69164400
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid (CID 62083485) is 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)N1CCC(C(C)(C)C)CC1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is MTMAOCXTGYGGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-11(2)10-13(14(19)20)17-15(21)18-8-6-12(7-9-18)16(3,4)5/h11-13H,6-10H2,1-5H3,(H,17,21)(H,19,20).
What are the key properties of 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid?
2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 298.43 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 62083485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).