3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid

C16H22N2O3 — CID 122018781

IUPAC3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid
SMILESCC(C)(c1ccccc1)C1(NC(=O)NCCC(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-15(2,12-6-4-3-5-7-12)16(9-10-16)18-14(21)17-11-8-13(19)20/h3-7H,8-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeySWCDBTLJZBJHEV-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.27
Rot. Bonds6

About 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid

3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid (PubChem CID 122018781) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid
PubChem CID122018781
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid
SMILESCC(C)(c1ccccc1)C1(NC(=O)NCCC(=O)O)CC1
InChIInChI=1S/C16H22N2O3/c1-15(2,12-6-4-3-5-7-12)16(9-10-16)18-14(21)17-11-8-13(19)20/h3-7H,8-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeySWCDBTLJZBJHEV-UHFFFAOYSA-N
XLogP2.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-[3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122026419
N-methyl-1-(2-phenylpropan-2-yl)cyclopropan-1-amine
CID 83684635
3-[(3-tert-butylphenyl)carbamoylamino]propanoic acid
CID 67975455
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
CID 28510898
3-[[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122000298
2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-phenylpropanamide
CID 79401075
3-[(2,2-dimethyl-5-phenylpentyl)carbamoylamino]propanoic acid
CID 122002181
5-bromo-2-methyl-6-oxo-N-[1-(2-phenylpropan-2-yl)cyclopropyl]-1H-pyridine-3-carboxamide
CID 138007734
3-[[2-methyl-2-[4-(trifluoromethyl)phenyl]propyl]carbamoylamino]propanoic acid
CID 122011306
3-(1-anilinopropan-2-ylcarbamoylamino)propanoic acid
CID 122018548
3-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoylamino]propanoic acid
CID 122000714
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid (CID 122018781) is 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid is CC(C)(c1ccccc1)C1(NC(=O)NCCC(=O)O)CC1.
What is the InChIKey of 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid?
The InChIKey is SWCDBTLJZBJHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-15(2,12-6-4-3-5-7-12)16(9-10-16)18-14(21)17-11-8-13(19)20/h3-7H,8-11H2,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid?
3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-phenylpropan-2-yl)cyclopropyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122018781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).