(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid

C16H22N2O3 — CID 103870984

IUPAC(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
SMILESO=C(CCC1CCNCC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-14(7-6-12-8-10-17-11-9-12)18-15(16(20)21)13-4-2-1-3-5-13/h1-5,12,15,17H,6-11H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyQNSBKTJNZYWHDW-HNNXBMFYSA-N
MW290.36 g/mol
LogP1.71
Rot. Bonds6

About (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid

(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid (PubChem CID 103870984) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
PubChem CID103870984
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
SMILESO=C(CCC1CCNCC1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c19-14(7-6-12-8-10-17-11-9-12)18-15(16(20)21)13-4-2-1-3-5-13/h1-5,12,15,17H,6-11H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyQNSBKTJNZYWHDW-HNNXBMFYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
2-(3-cyclobutylpropanoylamino)-2-naphthalen-2-ylacetic acid
CID 120543456
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
CID 61402999
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
3-(3-cyclopropylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 119219119
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid?
The IUPAC name of (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid (CID 103870984) is (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid is O=C(CCC1CCNCC1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid?
The InChIKey is QNSBKTJNZYWHDW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(7-6-12-8-10-17-11-9-12)18-15(16(20)21)13-4-2-1-3-5-13/h1-5,12,15,17H,6-11H2,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid?
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid has a molecular weight of 290.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid is sourced from PubChem (CID 103870984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).