(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid

C14H19N3O3 — CID 61402999

IUPAC(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
SMILESO=C(NC1CCNCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19N3O3/c18-13(19)12(10-4-2-1-3-5-10)17-14(20)16-11-6-8-15-9-7-11/h1-5,11-12,15H,6-9H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyNKELGEUSUVZIDG-GFCCVEGCSA-N
MW277.32 g/mol
LogP0.86
Rot. Bonds4

About (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid

(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid (PubChem CID 61402999) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
PubChem CID61402999
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid
SMILESO=C(NC1CCNCC1)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H19N3O3/c18-13(19)12(10-4-2-1-3-5-10)17-14(20)16-11-6-8-15-9-7-11/h1-5,11-12,15H,6-9H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1
InChIKeyNKELGEUSUVZIDG-GFCCVEGCSA-N
XLogP0.86
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61203130
2-(oxan-4-ylcarbamoylamino)-2-phenylacetic acid
CID 61202581
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
CID 113364462
methyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 71308112
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
N-(piperidin-4-ylcarbamoyl)benzamide
CID 12608582
tert-butyl (2S)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539467
tert-butyl (2R)-2-(cyclopropylcarbamoylamino)-2-phenylacetate
CID 115539461
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid (CID 61402999) is (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid is O=C(NC1CCNCC1)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid?
The InChIKey is NKELGEUSUVZIDG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(19)12(10-4-2-1-3-5-10)17-14(20)16-11-6-8-15-9-7-11/h1-5,11-12,15H,6-9H2,(H,18,19)(H2,16,17,20)/t12-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid?
(2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(piperidin-4-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 61402999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).