methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate

C14H19N3O3 — CID 110490928

IUPACmethyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)NC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-12(18)6-9-16-13(19)17-14(7-8-14)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3,(H2,16,17,19)
InChIKeyMRLPSBCXVMDBRF-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.12
Rot. Bonds5

About methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate

methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate (PubChem CID 110490928) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate
PubChem CID110490928
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate
SMILESCOC(=O)CCNC(=O)NC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C14H19N3O3/c1-20-12(18)6-9-16-13(19)17-14(7-8-14)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3,(H2,16,17,19)
InChIKeyMRLPSBCXVMDBRF-UHFFFAOYSA-N
XLogP1.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]acetic acid
CID 110490899
1-[1-(4-aminophenyl)cyclopentyl]-3-propan-2-ylurea
CID 110490871
1-[1-(4-aminophenyl)cyclopropyl]-3-(oxolan-2-ylmethyl)urea
CID 110490951
1-[1-(4-chlorophenyl)cyclopropyl]-3-(3-methylbutyl)urea
CID 113215454
1-[1-(4-chlorophenyl)cyclopropyl]-3-[2-(dimethylamino)ethyl]urea
CID 113215393
1-[1-(4-methoxyphenyl)cyclopropyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 113215609
1-pentyl-3-(1-phenylcyclopropyl)urea
CID 110490775
methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate
CID 110491051
1-[1-(3-aminophenyl)cyclopropyl]-3-(2,2-dimethoxyethyl)urea
CID 110491014
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
1-(3-methoxypropyl)-3-(1-phenylcyclopentyl)urea
CID 110676480
1-(4-aminophenyl)-N-[3-(methylamino)-3-oxopropyl]cyclopropane-1-carboxamide
CID 112558336

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate?
The IUPAC name of methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate (CID 110490928) is methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate.
What is the SMILES notation for methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate?
The canonical SMILES for methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate is COC(=O)CCNC(=O)NC1(c2ccc(N)cc2)CC1.
What is the InChIKey of methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate?
The InChIKey is MRLPSBCXVMDBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-12(18)6-9-16-13(19)17-14(7-8-14)10-2-4-11(15)5-3-10/h2-5H,6-9,15H2,1H3,(H2,16,17,19).
What are the key properties of methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate?
methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate has a molecular weight of 277.32 g/mol, XLogP of 1.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-aminophenyl)cyclopropyl]carbamoylamino]propanoate is sourced from PubChem (CID 110490928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).