2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid

C14H18N2O3 — CID 55105274

IUPAC2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC1CC1c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(13(17)18)8-15-14(19)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyZLIGFGJOXHLYBV-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds5

About 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid

2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 55105274) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID55105274
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
SMILESCC(CNC(=O)NC1CC1c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O3/c1-9(13(17)18)8-15-14(19)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyZLIGFGJOXHLYBV-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840
(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 81085981
1-(3-hydroxypropyl)-3-(2-phenylcyclopropyl)urea
CID 47764322
2,2-dimethyl-3-[[(1S,2R)-2-phenylcyclopropyl]carbamoylamino]propanamide
CID 95583258
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
(2S)-2-amino-N-(2-phenylcyclopropyl)propanamide
CID 78977151
2,3-dimethyl-N-[(1S,2R)-2-phenylcyclopropyl]butanamide
CID 118334207
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid (CID 55105274) is 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid is CC(CNC(=O)NC1CC1c1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is ZLIGFGJOXHLYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(13(17)18)8-15-14(19)16-12-7-11(12)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 55105274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).