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

C14H18N2O4 — CID 81085981

IUPAC3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NC1CC1c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-8-12(13(17)18)16-14(19)15-11-7-10(11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPGPSWCYAOLCXKB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.94
Rot. Bonds6

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

3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid (PubChem CID 81085981) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
PubChem CID81085981
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
SMILESCOCC(NC(=O)NC1CC1c1ccccc1)C(=O)O
InChIInChI=1S/C14H18N2O4/c1-20-8-12(13(17)18)16-14(19)15-11-7-10(11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyPGPSWCYAOLCXKB-UHFFFAOYSA-N
XLogP0.94
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-phenylcyclopropyl)carbamoylamino]pentanoic acid
CID 107566679
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
2-(methoxymethyl)-3-[1-[(2-phenylcyclopropyl)carbamoyl]cyclopentyl]propanoic acid
CID 70094822
methyl 2-oxo-2-[(2-phenylcyclopropyl)amino]acetate
CID 112617050
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
(2S)-2-benzamido-3-methoxypropanoic acid
CID 54400188
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
3-[[(2-phenylcyclopropyl)carbamoylamino]methyl]pentanoic acid
CID 81066840

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid (CID 81085981) is 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid is COCC(NC(=O)NC1CC1c1ccccc1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
The InChIKey is PGPSWCYAOLCXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-20-8-12(13(17)18)16-14(19)15-11-7-10(11)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid?
3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid has a molecular weight of 278.31 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 81085981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).