methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate

C12H15N3O4 — CID 43406999

IUPACmethyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C12H15N3O4/c1-19-10(16)7-14-11(17)9-4-2-8(3-5-9)6-15-12(13)18/h2-5H,6-7H2,1H3,(H,14,17)(H3,13,15,18)
InChIKeySSUKEHOTCMERCM-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.24
Rot. Bonds5

About methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate

methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate (PubChem CID 43406999) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
PubChem CID43406999
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C12H15N3O4/c1-19-10(16)7-14-11(17)9-4-2-8(3-5-9)6-15-12(13)18/h2-5H,6-7H2,1H3,(H,14,17)(H3,13,15,18)
InChIKeySSUKEHOTCMERCM-UHFFFAOYSA-N
XLogP-0.24
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-4-[(carbamoylamino)methyl]benzamide
CID 119626305
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
methyl N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]carbamate
CID 110474058
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]propanoate
CID 60669043
4-[(carbamoylamino)methyl]-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031405
methyl 2-[[4-[(thiophen-2-ylmethoxycarbonylamino)methyl]benzoyl]amino]acetate
CID 143406635
methyl 2-[[4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]benzoyl]amino]acetate
CID 47033100
N-(1-amino-2-methylpropan-2-yl)-4-[(carbamoylamino)methyl]benzamide;hydrochloride
CID 119521783
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
methyl 2-[[4-(dimethylamino)benzoyl]amino]acetate
CID 27682246
methyl 2-[[4-[(4-propan-2-yloxyphenyl)methylcarbamoylamino]benzoyl]amino]acetate
CID 47033094
(2S)-2-[[2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate (CID 43406999) is methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate is COC(=O)CNC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate?
The InChIKey is SSUKEHOTCMERCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-19-10(16)7-14-11(17)9-4-2-8(3-5-9)6-15-12(13)18/h2-5H,6-7H2,1H3,(H,14,17)(H3,13,15,18).
What are the key properties of methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate?
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate has a molecular weight of 265.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate is sourced from PubChem (CID 43406999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).