(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid

C10H10N2O4 — CID 138688125

IUPAC(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid
SMILESN/C(=C\Cc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H10N2O4/c11-8(10(13)14)6-5-7-3-1-2-4-9(7)12(15)16/h1-4,6H,5,11H2,(H,13,14)/b8-6-
InChIKeyZSGSSVDGUJPRTQ-VURMDHGXSA-N
MW222.20 g/mol
LogP1.06
Rot. Bonds4

About (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid

(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid (PubChem CID 138688125) has the molecular formula C10H10N2O4 and a molecular weight of 222.20 g/mol. Its IUPAC name is (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid
PubChem CID138688125
Molecular FormulaC10H10N2O4
Molecular Weight222.20 g/mol
Exact Mass222.06
IUPAC Name(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid
SMILESN/C(=C\Cc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H10N2O4/c11-8(10(13)14)6-5-7-3-1-2-4-9(7)12(15)16/h1-4,6H,5,11H2,(H,13,14)/b8-6-
InChIKeyZSGSSVDGUJPRTQ-VURMDHGXSA-N
XLogP1.06
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
3-[2-(2-nitrophenyl)ethylamino]propanamide
CID 55146808
(2-nitrophenyl)methyl carbamate
CID 21490181
(2-nitrophenyl)methyl 2-phenylacetate
CID 2752985
2-amino-3-[2-(2-nitrophenyl)ethyl]benzoic acid
CID 107367819
2-(2-nitrophenyl)-1-phenylethanone
CID 2754368
(2-nitrophenyl)methanol
CID 11923
2-(2-nitrophenyl)ethanimidamide;hydrochloride
CID 172682235
(2Z)-2-hydroxyimino-3-(2-nitrophenyl)propanoic acid
CID 6400570
methyl 2-(2-nitrophenyl)acetate
CID 520464
1-(2-diazoethyl)-2-nitrobenzene
CID 54383408

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid?
The IUPAC name of (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid (CID 138688125) is (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid.
What is the SMILES notation for (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid?
The canonical SMILES for (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid is N/C(=C\Cc1ccccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid?
The InChIKey is ZSGSSVDGUJPRTQ-VURMDHGXSA-N. The full InChI is InChI=1S/C10H10N2O4/c11-8(10(13)14)6-5-7-3-1-2-4-9(7)12(15)16/h1-4,6H,5,11H2,(H,13,14)/b8-6-.
What are the key properties of (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid?
(Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid has a molecular weight of 222.20 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-(2-nitrophenyl)but-2-enoic acid is sourced from PubChem (CID 138688125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).