methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate

C12H16N4O4 — CID 60927446

IUPACmethyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C12H16N4O4/c1-20-12(19)16-9-4-2-3-8(5-9)15-11(18)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyZMAXZVMEQLUTGI-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.12
Rot. Bonds5

About methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate

methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate (PubChem CID 60927446) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
PubChem CID60927446
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Namemethyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1cccc(NC(=O)CNC(=O)CN)c1
InChIInChI=1S/C12H16N4O4/c1-20-12(19)16-9-4-2-3-8(5-9)15-11(18)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)(H,15,18)(H,16,19)
InChIKeyZMAXZVMEQLUTGI-UHFFFAOYSA-N
XLogP-0.12
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-[(2-aminoacetyl)amino]acetyl]amino]benzoate
CID 61254044
N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]-2-methylpropanamide
CID 60851547
2-amino-N-[2-[3-[(4-methylphenyl)methyl]anilino]-2-oxoethyl]acetamide
CID 166762755
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
methyl N-[3-[(3-amino-2-methylpropanoyl)amino]phenyl]carbamate
CID 62670350
methyl 3-[[2-(ethoxycarbonylamino)acetyl]amino]benzoate
CID 112999894
2-amino-N-[2-[3-(3-cyanopropoxy)anilino]-2-oxoethyl]acetamide
CID 60928110
methyl N-[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]carbamate
CID 60533156
N-[2-(3-acetamidoanilino)-2-oxoethyl]butanamide
CID 47292724
methyl N-[3-(2-bromoprop-2-enylcarbamoylamino)phenyl]carbamate
CID 47442101
5-[3-(methoxycarbonylamino)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 56816642

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate (CID 60927446) is methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate is COC(=O)Nc1cccc(NC(=O)CNC(=O)CN)c1.
What is the InChIKey of methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate?
The InChIKey is ZMAXZVMEQLUTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-12(19)16-9-4-2-3-8(5-9)15-11(18)7-14-10(17)6-13/h2-5H,6-7,13H2,1H3,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate?
methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate has a molecular weight of 280.28 g/mol, XLogP of -0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[[2-[(2-aminoacetyl)amino]acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 60927446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).