3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid

C14H16Cl2N2O3 — CID 122015502

IUPAC3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-9-1-2-10(12(16)6-9)11-5-8(11)7-18-14(21)17-4-3-13(19)20/h1-2,6,8,11H,3-5,7H2,(H,19,20)(H2,17,18,21)/t8-,11+/m0/s1
InChIKeySISOIAPBJIRGKR-GZMMTYOYSA-N
MW331.20 g/mol
LogP2.87
Rot. Bonds6

About 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid

3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid (PubChem CID 122015502) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid
PubChem CID122015502
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl2N2O3/c15-9-1-2-10(12(16)6-9)11-5-8(11)7-18-14(21)17-4-3-13(19)20/h1-2,6,8,11H,3-5,7H2,(H,19,20)(H2,17,18,21)/t8-,11+/m0/s1
InChIKeySISOIAPBJIRGKR-GZMMTYOYSA-N
XLogP2.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic 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

N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
CID 97247708
N-[[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-2-(methylcarbamoylamino)acetamide
CID 97247707
N-[[2-(2,4-dichlorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708576
4-[[(1R,2R)-2-phenylcyclopropyl]methylcarbamoylamino]butanoic acid
CID 122015490
[(1R,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methanamine
CID 94557667
5-(aminomethyl)-N-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-3-methyltriazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166299483
3-[1-(2,4-dichlorophenyl)ethylcarbamoylamino]propanoic acid
CID 61184371
3-[(2-phenylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 122016808
(2R)-N-[[(1S,2S)-2-(2,4-dichlorophenyl)cyclopropyl]methyl]-1-methylsulfonylpropan-2-amine
CID 97334141
3-[[(1R,2S)-2-propan-2-ylcyclopropyl]methylcarbamoylamino]propanoic acid
CID 122016596
3-[[1-[(3-chlorophenyl)methyl]cyclopropyl]methylcarbamoylamino]propanoic acid
CID 122017314
2-(2,4-dichlorophenyl)-N-[3-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119429856

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid?
The IUPAC name of 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid (CID 122015502) is 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid?
The canonical SMILES for 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid is O=C(O)CCNC(=O)NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid?
The InChIKey is SISOIAPBJIRGKR-GZMMTYOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-9-1-2-10(12(16)6-9)11-5-8(11)7-18-14(21)17-4-3-13(19)20/h1-2,6,8,11H,3-5,7H2,(H,19,20)(H2,17,18,21)/t8-,11+/m0/s1.
What are the key properties of 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid?
3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid has a molecular weight of 331.20 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropyl]methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 122015502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).