(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid

C22H18N2O5 — CID 67571498

IUPAC(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O5/c25-21(19(15-8-3-1-4-9-15)16-10-5-2-6-11-16)23-20(22(26)27)17-12-7-13-18(14-17)24(28)29/h1-14,19-20H,(H,23,25)(H,26,27)/t20-/m0/s1
InChIKeyZBZWFLFRRVGZQS-FQEVSTJZSA-N
MW390.40 g/mol
LogP3.67
Rot. Bonds7

About (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid

(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid (PubChem CID 67571498) has the molecular formula C22H18N2O5 and a molecular weight of 390.40 g/mol. Its IUPAC name is (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid
PubChem CID67571498
Molecular FormulaC22H18N2O5
Molecular Weight390.40 g/mol
Exact Mass390.12
IUPAC Name(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid
SMILESO=C(N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H18N2O5/c25-21(19(15-8-3-1-4-9-15)16-10-5-2-6-11-16)23-20(22(26)27)17-12-7-13-18(14-17)24(28)29/h1-14,19-20H,(H,23,25)(H,26,27)/t20-/m0/s1
InChIKeyZBZWFLFRRVGZQS-FQEVSTJZSA-N
XLogP3.67
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(3-nitrophenyl)-2-(propan-2-ylamino)acetic acid
CID 84747297
2-(2-methylpropylamino)-2-(3-nitrophenyl)acetic acid
CID 84747295
(2S)-2-[(3-nitrophenyl)methylcarbamoylamino]-2-phenylacetic acid
CID 154342917
(S)-(3-nitrophenyl)-phenylmethanol
CID 15984760
(2S)-2-[(3,5-dinitrobenzoyl)amino]-2-phenylacetic acid;ethane
CID 144760970
2-hydroxy-2-(3-nitrophenyl)acetate
CID 19968019
(2R,3S)-2,3-dibromo-3-(3-nitrophenyl)propanoic acid
CID 11175622
(2S,3R)-2,3-dibromo-3-(3-nitrophenyl)propanoic acid
CID 12022658
methyl 2-(methylamino)-2-(3-nitrophenyl)acetate
CID 54068109
2-(1,3-dioxoisoindol-2-yl)-2-(3-nitrophenyl)acetic acid
CID 154154431
(2R)-2-(3,5-dinitroanilino)-2-phenylacetic acid
CID 14025295
2-(3-nitrophenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 84747317

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid?
The IUPAC name of (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid (CID 67571498) is (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid.
What is the SMILES notation for (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid?
The canonical SMILES for (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid is O=C(N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid?
The InChIKey is ZBZWFLFRRVGZQS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18N2O5/c25-21(19(15-8-3-1-4-9-15)16-10-5-2-6-11-16)23-20(22(26)27)17-12-7-13-18(14-17)24(28)29/h1-14,19-20H,(H,23,25)(H,26,27)/t20-/m0/s1.
What are the key properties of (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid?
(2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid has a molecular weight of 390.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,2-diphenylacetyl)amino]-2-(3-nitrophenyl)acetic acid is sourced from PubChem (CID 67571498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).