2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid

C16H18ClNO3 — CID 43655356

IUPAC2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H18ClNO3/c17-13-5-3-12(4-6-13)16(7-8-16)15(21)18(10-14(19)20)9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,19,20)
InChIKeyTVTNCRUUPXCSRC-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.69
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid

2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655356) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655356
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H18ClNO3/c17-13-5-3-12(4-6-13)16(7-8-16)15(21)18(10-14(19)20)9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,19,20)
InChIKeyTVTNCRUUPXCSRC-UHFFFAOYSA-N
XLogP2.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655476
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61380602
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
1-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 60653694
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
1-(4-chlorophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55468765
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 107483376
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 112790191
2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid (CID 43655356) is 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)C1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is TVTNCRUUPXCSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c17-13-5-3-12(4-6-13)16(7-8-16)15(21)18(10-14(19)20)9-11-1-2-11/h3-6,11H,1-2,7-10H2,(H,19,20).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 307.78 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).