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

C16H18BrNO3 — CID 43655476

IUPAC2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H18BrNO3/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)
InChIKeyZDCOIHJWQJYCLB-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.80
Rot. Bonds6

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

2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655476) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655476
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)C1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H18BrNO3/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)
InChIKeyZDCOIHJWQJYCLB-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655356
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
CID 54900888
N-benzyl-1-(4-bromophenyl)-N-cyclopropylcyclopropane-1-carboxamide
CID 112812586
1-(4-bromophenyl)-N-cycloheptyl-N-methylcyclopropane-1-carboxamide
CID 55521341
2-[[(2S)-2-amino-2-phenylacetyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869512
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
2-[(5-bromothiophene-2-carbonyl)-(cyclopropylmethyl)amino]acetic acid
CID 43655931
2-[cyclopropylmethyl-(2-methylthiolane-2-carbonyl)amino]acetic acid
CID 81451507
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 62626913
2-[1-(4-bromophenyl)propan-2-yl-(cyclopropylmethyl)amino]acetic acid
CID 114081564
2-[(2-chloro-4-methylbenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 106860492

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid (CID 43655476) is 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)C1(c2ccc(Br)cc2)CC1.
What is the InChIKey of 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is ZDCOIHJWQJYCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/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-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 352.23 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-bromophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).