2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

C15H25NO4 — CID 155819711

IUPAC2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-7-6-11(8-13(17)18)12(9-16)10-4-5-10/h10-12H,4-9H2,1-3H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyOYVJSENKXINNJN-NWDGAFQWSA-N
MW283.37 g/mol
LogP2.74
Rot. Bonds3

About 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid

2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (PubChem CID 155819711) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
PubChem CID155819711
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-7-6-11(8-13(17)18)12(9-16)10-4-5-10/h10-12H,4-9H2,1-3H3,(H,17,18)/t11-,12+/m0/s1
InChIKeyOYVJSENKXINNJN-NWDGAFQWSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)propanoic acid
CID 1512540
6-((Tert-butoxy)carbonyl)-6-azaspiro(2.5)octane-1-carboxylic acid
CID 43810799
3-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}butanoic acid
CID 71691535
3-((3S)-1-((tert-butoxy)carbonyl)piperidin-3-yl)propanoic acid
CID 1502091
3-[(3R)-1-[(tert-butoxy)carbonyl]piperidin-3-yl]propanoic acid
CID 1502092
1-Boc-piperidin-3-yl-propionic acid
CID 2756824
4-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)butanoic acid
CID 10400987
5-(1-((Tert-butoxy)carbonyl)piperidin-4-yl)pentanoic acid
CID 10731873
2-[1-(Tert-butoxycarbonyl)piperidin-4-yl]propanoic acid
CID 17781891
2-(7-((Tert-butoxy)carbonyl)-7-azaspiro(3.5)nonan-2-yl)acetic acid
CID 18670570
rac-(1R,2S)-2-(1-(tert-butoxycarbonyl)piperidin-4-yl)cyclopropanecarboxylic acid
CID 18738149
1-(Tert-butoxycarbonyl)-4-(cyclopropylmethyl)piperidine-4-carboxylic acid
CID 21061045

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid (CID 155819711) is 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is CC(C)(C)OC(=O)N1CC[C@@H](CC(=O)O)[C@@H](C2CC2)C1.
What is the InChIKey of 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
The InChIKey is OYVJSENKXINNJN-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-7-6-11(8-13(17)18)12(9-16)10-4-5-10/h10-12H,4-9H2,1-3H3,(H,17,18)/t11-,12+/m0/s1.
What are the key properties of 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid?
2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 155819711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).