methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate

C13H17N3O3 — CID 110491051

IUPACmethyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NC1(c2ccccc2N)CC1
InChIInChI=1S/C13H17N3O3/c1-19-11(17)8-15-12(18)16-13(6-7-13)9-4-2-3-5-10(9)14/h2-5H,6-8,14H2,1H3,(H2,15,16,18)
InChIKeyNBEWOLSGBHRFRX-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.73
Rot. Bonds4

About methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate

methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate (PubChem CID 110491051) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate
PubChem CID110491051
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Namemethyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NC1(c2ccccc2N)CC1
InChIInChI=1S/C13H17N3O3/c1-19-11(17)8-15-12(18)16-13(6-7-13)9-4-2-3-5-10(9)14/h2-5H,6-8,14H2,1H3,(H2,15,16,18)
InChIKeyNBEWOLSGBHRFRX-UHFFFAOYSA-N
XLogP0.73
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.73
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

Ethyl N-[(4-Aminobenzyl)carbamoyl]glycinate
CID 53259809
n-(((2-Methylphenyl)amino)carbonyl)glycine
CID 303776
Ethyl N-{[4-(Acetylamino)benzyl]carbamoyl}glycinate
CID 81689780
methyl (2S)-2-[(3,4-dimethylphenyl)carbamoylamino]propanoate
CID 664176
(S)-2-(3-m-Tolyl-ureido)-propionic acid methyl ester
CID 942396
N-[(2-ethylphenyl)carbamoyl]-L-alanine
CID 5389730
Ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
CID 134823846
Ethyl 2-[[(4-aminophenyl)methyl-prop-2-ynylcarbamoyl]amino]acetate
CID 137349304
(S)-methyl 2-(3-(2-ethylphenyl)ureido)propanoate
CID 5389773
Ethyl 2-[[(4-aminophenyl)methyl-(cyclopropylmethyl)carbamoyl]amino]ethanoate
CID 134823848
Ethyl 2-[[(4-aminophenyl)methyl-ethylcarbamoyl]amino]acetate
CID 134823844
Ethyl 2-[(2,6-dimethylphenyl)carbamoylamino]acetate
CID 4987937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate?
The IUPAC name of methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate (CID 110491051) is methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate?
The canonical SMILES for methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate is COC(=O)CNC(=O)NC1(c2ccccc2N)CC1.
What is the InChIKey of methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate?
The InChIKey is NBEWOLSGBHRFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-19-11(17)8-15-12(18)16-13(6-7-13)9-4-2-3-5-10(9)14/h2-5H,6-8,14H2,1H3,(H2,15,16,18).
What are the key properties of methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate?
methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate has a molecular weight of 263.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-aminophenyl)cyclopropyl]carbamoylamino]acetate is sourced from PubChem (CID 110491051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).