(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid

C14H24N2O4 — CID 99638975

IUPAC(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)7-11(17)15-8-12(18)16-6-4-5-10(9-16)13(19)20/h10H,4-9H2,1-3H3,(H,15,17)(H,19,20)/t10-/m0/s1
InChIKeyGIVLFNWWPNSNOK-JTQLQIEISA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds4

About (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid

(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 99638975) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID99638975
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
SMILESCC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)7-11(17)15-8-12(18)16-6-4-5-10(9-16)13(19)20/h10H,4-9H2,1-3H3,(H,15,17)(H,19,20)/t10-/m0/s1
InChIKeyGIVLFNWWPNSNOK-JTQLQIEISA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-3,3-dimethylbutanamide
CID 110903001
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
(3S)-1-[2-[[2-(1-adamantyl)acetyl]amino]acetyl]piperidine-3-carboxylic acid
CID 99718207
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid (CID 99638975) is (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid is CC(C)(C)CC(=O)NCC(=O)N1CCC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is GIVLFNWWPNSNOK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)7-11(17)15-8-12(18)16-6-4-5-10(9-16)13(19)20/h10H,4-9H2,1-3H3,(H,15,17)(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid?
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 99638975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).