methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate

C12H16N2O4 — CID 119089437

IUPACmethyl 3-[carbamoyl(phenylmethoxy)amino]propanoate
SMILESCOC(=O)CCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O4/c1-17-11(15)7-8-14(12(13)16)18-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,16)
InChIKeyQYOOUQFIKCWJME-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.06
Rot. Bonds6

About methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate

methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate (PubChem CID 119089437) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[carbamoyl(phenylmethoxy)amino]propanoate
PubChem CID119089437
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 3-[carbamoyl(phenylmethoxy)amino]propanoate
SMILESCOC(=O)CCN(OCc1ccccc1)C(N)=O
InChIInChI=1S/C12H16N2O4/c1-17-11(15)7-8-14(12(13)16)18-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,16)
InChIKeyQYOOUQFIKCWJME-UHFFFAOYSA-N
XLogP1.06
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-1-phenylmethoxyurea
CID 22444379
3-[acetyl(phenylmethoxy)amino]propanoic acid
CID 10060062
methyl 5-[methyl(phenylmethoxycarbonyl)amino]pentanoate
CID 139381333
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
ethyl N-(2-phenylethyl)-N-phenylmethoxycarbamate
CID 125470333
3-[11-(dimethylamino)undecanoyl-phenylmethoxyamino]propanoic acid
CID 151814442
benzamide;methyl 3-phenylpropanoate
CID 154677392
N-phenylmethoxyacetohydrazide
CID 174450270
methyl 8-phenylmethoxyoctanoate
CID 562206
benzyl acetate;carbamic acid
CID 159542161
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319
methyl 3-[oxolan-2-ylmethyl(phenylmethoxycarbonyl)amino]propanoate
CID 78964120

Frequently Asked Questions

What is the IUPAC name of methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate?
The IUPAC name of methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate (CID 119089437) is methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate.
What is the SMILES notation for methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate?
The canonical SMILES for methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate is COC(=O)CCN(OCc1ccccc1)C(N)=O.
What is the InChIKey of methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate?
The InChIKey is QYOOUQFIKCWJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11(15)7-8-14(12(13)16)18-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,16).
What are the key properties of methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate?
methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate has a molecular weight of 252.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[carbamoyl(phenylmethoxy)amino]propanoate is sourced from PubChem (CID 119089437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).