2-(phenylmethoxycarbonylamino)acetic acid

C10H11NO4 — CID 14349

IUPAC2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChIKeyCJUMAFVKTCBCJK-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.00
Rot. Bonds4

About 2-(phenylmethoxycarbonylamino)acetic acid

2-(phenylmethoxycarbonylamino)acetic acid (PubChem CID 14349) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-(phenylmethoxycarbonylamino)acetic acid.

Molecular Properties

Compound Name2-(phenylmethoxycarbonylamino)acetic acid
PubChem CID14349
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name2-(phenylmethoxycarbonylamino)acetic acid
SMILESO=C(O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
InChIKeyCJUMAFVKTCBCJK-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxycarbonylamino)acetic acid?
The IUPAC name of 2-(phenylmethoxycarbonylamino)acetic acid (CID 14349) is 2-(phenylmethoxycarbonylamino)acetic acid.
What is the SMILES notation for 2-(phenylmethoxycarbonylamino)acetic acid?
The canonical SMILES for 2-(phenylmethoxycarbonylamino)acetic acid is O=C(O)CNC(=O)OCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxycarbonylamino)acetic acid?
The InChIKey is CJUMAFVKTCBCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13).
What are the key properties of 2-(phenylmethoxycarbonylamino)acetic acid?
2-(phenylmethoxycarbonylamino)acetic acid has a molecular weight of 209.20 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxycarbonylamino)acetic acid is sourced from PubChem (CID 14349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).