2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid

C13H16N2O3 — CID 114989842

IUPAC2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid
SMILESNC(=O)CNC(C(=O)O)(c1ccccc1)C1CC1
InChIInChI=1S/C13H16N2O3/c14-11(16)8-15-13(12(17)18,10-6-7-10)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H2,14,16)(H,17,18)
InChIKeyBOLWOVRAIQSXBB-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.45
Rot. Bonds6

About 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid

2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid (PubChem CID 114989842) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid
PubChem CID114989842
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid
SMILESNC(=O)CNC(C(=O)O)(c1ccccc1)C1CC1
InChIInChI=1S/C13H16N2O3/c14-11(16)8-15-13(12(17)18,10-6-7-10)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H2,14,16)(H,17,18)
InChIKeyBOLWOVRAIQSXBB-UHFFFAOYSA-N
XLogP0.45
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-cyclopropyl-2-(ethylamino)-2-phenylacetate
CID 114989601
2-(4-chlorophenyl)-2-cyclopropyl-2-(cyclopropylmethylamino)acetic acid
CID 61002443
methyl 2-cyclopropyl-2-phenyl-2-(prop-2-enylamino)acetate
CID 115002579
(2S)-2-cyclopentyl-2-[[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 173039845
(2R)-2-cyclopentyl-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]-2-phenylacetic acid
CID 87239812
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(dimethylamino)ethylamino]acetic acid
CID 61001788
2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid
CID 63917662
2-cyclopropyl-2-(cyclopropylamino)-3-phenylsulfanylpropanamide
CID 63916695
2-amino-2-cyclopropyl-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917690
2-[(2-amino-2-phenylpropanoyl)amino]-2-cyclopropylpropanoic acid
CID 62487893
3,3-diphenylpentanediamide
CID 141227643
2-amino-1-cyclopropyl-1-phenylethanol
CID 71683828

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid (CID 114989842) is 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid is NC(=O)CNC(C(=O)O)(c1ccccc1)C1CC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid?
The InChIKey is BOLWOVRAIQSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c14-11(16)8-15-13(12(17)18,10-6-7-10)9-4-2-1-3-5-9/h1-5,10,15H,6-8H2,(H2,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid?
2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)amino]-2-cyclopropyl-2-phenylacetic acid is sourced from PubChem (CID 114989842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).