2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone

C15H14N2O5 — CID 174848251

IUPAC2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
SMILESNCC(=O)O.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9NO3.C2H5NO2/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;3-1-2(4)5/h1-9H;1,3H2,(H,4,5)
InChIKeyXQFKXBLMPSXXSN-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.86
Rot. Bonds4

About 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone

2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone (PubChem CID 174848251) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
PubChem CID174848251
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone
SMILESNCC(=O)O.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H9NO3.C2H5NO2/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;3-1-2(4)5/h1-9H;1,3H2,(H,4,5)
InChIKeyXQFKXBLMPSXXSN-UHFFFAOYSA-N
XLogP1.86
TPSA123.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-nitrophenyl)-phenylmethanone;propan-1-amine
CID 20502317
azane;carbamic acid;(2-nitrophenyl)-phenylmethanone
CID 174845274
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545
methanimine;(2-nitrophenyl)-phenylmethanone
CID 174799548
dihydroxy(oxo)phosphanium;(2-nitrophenyl)-phenylmethanone
CID 174984132
(2-nitrophenyl)-phenylmethanone;2-oxopropanoic acid
CID 174621334
ethyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 162206932
acetonitrile;(2-nitrophenyl)-phenylmethanone
CID 161021421
isothiocyanic acid;(2-nitrophenyl)-phenylmethanone
CID 174455888
benzyl carbamate;(2-nitrophenyl)-phenylmethanone
CID 175296200
(2-nitrophenyl)-phenylmethanone;phenyl hydrogen carbonate
CID 174458714
(2-nitrophenyl)-phenylmethanone;3-prop-2-ynoxyprop-1-yne
CID 174938163

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone?
The IUPAC name of 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone (CID 174848251) is 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone.
What is the SMILES notation for 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone?
The canonical SMILES for 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone is NCC(=O)O.O=C(c1ccccc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone?
The InChIKey is XQFKXBLMPSXXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3.C2H5NO2/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17;3-1-2(4)5/h1-9H;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone?
2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone has a molecular weight of 302.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 174848251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).