3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid

C14H19NO2 — CID 139017034

IUPAC3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
SMILESCc1ccccc1C1(CNCCC(=O)O)CC1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-12(11)14(7-8-14)10-15-9-6-13(16)17/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyJYRVDVLVYSLQEX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.09
Rot. Bonds6

About 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid

3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid (PubChem CID 139017034) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
PubChem CID139017034
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid
SMILESCc1ccccc1C1(CNCCC(=O)O)CC1
InChIInChI=1S/C14H19NO2/c1-11-4-2-3-5-12(11)14(7-8-14)10-15-9-6-13(16)17/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyJYRVDVLVYSLQEX-UHFFFAOYSA-N
XLogP2.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-methylphenyl)cyclopropyl]methyl]propan-1-amine
CID 62594744
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]acetamide;hydrochloride
CID 119315817
1-hydroxy-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 110922755
2-methoxy-N-[[1-(2-methylphenyl)cyclohexyl]methyl]ethanamine
CID 62596033
3-[[4-(2-methylphenyl)oxane-4-carbonyl]amino]propanoic acid
CID 119351197
1-amino-N-[[1-(2-methylphenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide
CID 119315839
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
trans-(1R,2R)-2-methyl-N-[3-[[1-(2-methylphenyl)cyclopropyl]methylamino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 95281523
6-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119183961
2-[[1-(2-methylphenyl)cyclopropyl]methylcarbamoylamino]propanediamide
CID 52910224
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid (CID 139017034) is 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid is Cc1ccccc1C1(CNCCC(=O)O)CC1.
What is the InChIKey of 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid?
The InChIKey is JYRVDVLVYSLQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-2-3-5-12(11)14(7-8-14)10-15-9-6-13(16)17/h2-5,15H,6-10H2,1H3,(H,16,17).
What are the key properties of 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid?
3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylphenyl)cyclopropyl]methylamino]propanoic acid is sourced from PubChem (CID 139017034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).