(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid

C14H26N2O3 — CID 62931543

IUPAC(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC1(C)CCN(C(=O)N[C@H](C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)10(11(17)18)15-12(19)16-8-6-14(4,5)7-9-16/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)/t10-/m1/s1
InChIKeyYBNKPILSTWMGNP-SNVBAGLBSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds2

About (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid

(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid (PubChem CID 62931543) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
PubChem CID62931543
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
SMILESCC1(C)CCN(C(=O)N[C@H](C(=O)O)C(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-13(2,3)10(11(17)18)15-12(19)16-8-6-14(4,5)7-9-16/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)/t10-/m1/s1
InChIKeyYBNKPILSTWMGNP-SNVBAGLBSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azaspiro[4.5]decane-8-carbonylamino)-3,3-dimethylbutanoic acid
CID 63162376
3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoic acid
CID 61187859
3,3-dimethyl-2-(piperidine-1-carbonylamino)butanoic acid
CID 61181637
(2S)-2-(azepane-1-carbonylamino)-3,3-dimethylbutanoic acid
CID 61188548
(2S)-2-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61442803
3,3-dimethyl-2-[[4-(methylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 61440254
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353177
(2R)-2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927826
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61202575
3,3-dimethyl-2-(1,4-oxazepane-4-carbonylamino)butanoic acid
CID 62967808
(2R)-2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 103927837
2-[[(4,4-dimethylpiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65226496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid (CID 62931543) is (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid is CC1(C)CCN(C(=O)N[C@H](C(=O)O)C(C)(C)C)CC1.
What is the InChIKey of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid?
The InChIKey is YBNKPILSTWMGNP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-13(2,3)10(11(17)18)15-12(19)16-8-6-14(4,5)7-9-16/h10H,6-9H2,1-5H3,(H,15,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid?
(2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4,4-dimethylpiperidine-1-carbonyl)amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 62931543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).