2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid

C17H26N2O2 — CID 103501966

IUPAC2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
SMILESCC(C)C1CCN(CC(N)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)14-8-10-19(11-9-14)12-17(18,16(20)21)15-6-4-3-5-7-15/h3-7,13-14H,8-12,18H2,1-2H3,(H,20,21)
InChIKeyOJCTUGPHZGPDCO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds5

About 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid

2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid (PubChem CID 103501966) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
PubChem CID103501966
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
SMILESCC(C)C1CCN(CC(N)(C(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-13(2)14-8-10-19(11-9-14)12-17(18,16(20)21)15-6-4-3-5-7-15/h3-7,13-14H,8-12,18H2,1-2H3,(H,20,21)
InChIKeyOJCTUGPHZGPDCO-UHFFFAOYSA-N
XLogP2.29
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-2-ol
CID 112698258
4-(1-bromoethyl)-1-(2,2-difluoro-2-phenylethyl)piperidine
CID 106838270
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
(2R)-N-cyclopropyl-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-phenylpropyl]piperidin-4-yl]acetamide
CID 129489619
1-(2-hydroxy-2-phenylpropyl)piperidine-4-carboxamide
CID 62373973
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693918
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
methyl 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-amino-2-phenylpropanoate
CID 115561548
2-amino-1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 122080376
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
1-[1-(2,2-difluoro-2-phenylethyl)piperidin-4-yl]ethanone
CID 116789445
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid (CID 103501966) is 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid is CC(C)C1CCN(CC(N)(C(=O)O)c2ccccc2)CC1.
What is the InChIKey of 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid?
The InChIKey is OJCTUGPHZGPDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)14-8-10-19(11-9-14)12-17(18,16(20)21)15-6-4-3-5-7-15/h3-7,13-14H,8-12,18H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid?
2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 103501966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).