2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid

C14H18N2O3 — CID 62710013

IUPAC2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
SMILESCc1ccc(CNC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-9-2-4-10(5-3-9)8-15-14(19)16-12(13(17)18)11-6-7-11/h2-5,11-12H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKODRAMBRZJPRBG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.66
Rot. Bonds5

About 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid

2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid (PubChem CID 62710013) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
PubChem CID62710013
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
SMILESCc1ccc(CNC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C14H18N2O3/c1-9-2-4-10(5-3-9)8-15-14(19)16-12(13(17)18)11-6-7-11/h2-5,11-12H,6-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyKODRAMBRZJPRBG-UHFFFAOYSA-N
XLogP1.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
CID 62711747
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
2-cyclopropyl-2-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 120686696
2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
(2S)-3,3-dimethyl-2-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189588
3-[(4-methylphenyl)methylcarbamoylamino]butanoic acid
CID 61189759
2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
CID 63792258
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
2-cyclopropyl-2-[(1-ethylcyclopentyl)methylcarbamoylamino]acetic acid
CID 114126135
2-cyclopropyl-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]acetic acid
CID 83114452

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid (CID 62710013) is 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid is Cc1ccc(CNC(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid?
The InChIKey is KODRAMBRZJPRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-2-4-10(5-3-9)8-15-14(19)16-12(13(17)18)11-6-7-11/h2-5,11-12H,6-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 62710013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).