2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid

C16H21N3O4 — CID 21444954

IUPAC2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)NC(C(=O)O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H21N3O4/c1-18(16(23)19-10-6-3-7-11-19)15(22)17-13(14(20)21)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,17,22)(H,20,21)
InChIKeyQERDDHIGPRHEED-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.06
Rot. Bonds3

About 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid

2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 21444954) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID21444954
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
SMILESCN(C(=O)NC(C(=O)O)c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C16H21N3O4/c1-18(16(23)19-10-6-3-7-11-19)15(22)17-13(14(20)21)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,17,22)(H,20,21)
InChIKeyQERDDHIGPRHEED-UHFFFAOYSA-N
XLogP2.06
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
CID 54019383
2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
(2S)-2-phenyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119372610
(2R)-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 61193066
N-methyl-N-phenylpiperidine-1-carboxamide
CID 54133936
(2R)-2-[[(3S)-1-carbamoylpiperidine-3-carbonyl]amino]-2-phenylacetic acid
CID 125148264
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
(2S)-2-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid (CID 21444954) is 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid is CN(C(=O)NC(C(=O)O)c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is QERDDHIGPRHEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-18(16(23)19-10-6-3-7-11-19)15(22)17-13(14(20)21)12-8-4-2-5-9-12/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 319.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21444954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).