acetamide;2-(phenylmethoxycarbonylamino)acetic acid

C12H16N2O5 — CID 142382396

IUPACacetamide;2-(phenylmethoxycarbonylamino)acetic acid
SMILESCC(N)=O.O=C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO4.C2H5NO/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8;1-2(3)4/h1-5H,6-7H2,(H,11,14)(H,12,13);1H3,(H2,3,4)
InChIKeyOFEOCWGWVAKURD-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.49
Rot. Bonds4

About acetamide;2-(phenylmethoxycarbonylamino)acetic acid

acetamide;2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 142382396) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is acetamide;2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Nameacetamide;2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID142382396
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Nameacetamide;2-(phenylmethoxycarbonylamino)acetic acid
SMILESCC(N)=O.O=C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO4.C2H5NO/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8;1-2(3)4/h1-5H,6-7H2,(H,11,14)(H,12,13);1H3,(H2,3,4)
InChIKeyOFEOCWGWVAKURD-UHFFFAOYSA-N
XLogP0.49
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-amino-2-oxoethyl)carbamate
CID 69459510
benzyl N-(2-amino-2-oxoethyl)carbamate;2-methylpropane
CID 169191565
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
2-[(4-acetyloxyphenyl)methoxycarbonylamino]acetic acid
CID 86217606
benzyl N-(4-methyl-2-oxopent-4-enyl)carbamate
CID 165467188
2-[2-(phenylmethoxycarbonylamino)ethylamino]acetic acid
CID 10354829
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-[[6-(phenylmethoxycarbonylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]carbamate
CID 71477342
2-[carboxymethyl-[2-(phenylmethoxycarbonylamino)acetyl]amino]acetic acid
CID 70865153
benzyl N-(2-nitroso-2-oxoethyl)carbamate
CID 118370202
benzyl N-(2-oxo-3-sulfanylpropyl)carbamate
CID 24832042

Frequently Asked Questions

What is the IUPAC name of acetamide;2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of acetamide;2-(phenylmethoxycarbonylamino)acetic acid (CID 142382396) is acetamide;2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for acetamide;2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for acetamide;2-(phenylmethoxycarbonylamino)acetic acid is CC(N)=O.O=C(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of acetamide;2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is OFEOCWGWVAKURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4.C2H5NO/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8;1-2(3)4/h1-5H,6-7H2,(H,11,14)(H,12,13);1H3,(H2,3,4).
What are the key properties of acetamide;2-(phenylmethoxycarbonylamino)acetic acid?
acetamide;2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 268.27 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 142382396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).