(2R)-2-(4-nitrophenoxy)butanoic acid

C10H11NO5 — CID 7019234

IUPAC(2R)-2-(4-nitrophenoxy)butanoic acid
SMILESCC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C10H11NO5/c1-2-9(10(12)13)16-8-5-3-7(4-6-8)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYPBRRZJQNAFLIJ-SECBINFHSA-N
MW225.20 g/mol
LogP1.84
Rot. Bonds5

About (2R)-2-(4-nitrophenoxy)butanoic acid

(2R)-2-(4-nitrophenoxy)butanoic acid (PubChem CID 7019234) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (2R)-2-(4-nitrophenoxy)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-nitrophenoxy)butanoic acid
PubChem CID7019234
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(2R)-2-(4-nitrophenoxy)butanoic acid
SMILESCC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O
InChIInChI=1S/C10H11NO5/c1-2-9(10(12)13)16-8-5-3-7(4-6-8)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyYPBRRZJQNAFLIJ-SECBINFHSA-N
XLogP1.84
TPSA89.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
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

(2S)-2-(4-nitrophenoxy)butanoate
CID 7858570
ethyl (2S)-2-(4-nitrophenoxy)butanoate
CID 95358569
2-(4-nitrophenoxy)-1-phenylbutan-1-one
CID 61031389
(2S)-2-(4-nitrophenoxy)propanoic acid
CID 7922614
2-(2-methoxy-5-nitrophenoxy)butanoic acid
CID 43808815
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
2-[4-(1-hydroxyethyl)phenoxy]butanoic acid
CID 64661160
1-hexan-3-yloxy-4-nitrobenzene
CID 147757571
methyl 2-(4-nitrophenoxy)dodecanoate
CID 67897730
(2R)-2-(4-nitrophenoxy)tetradecanehydrazide
CID 95240315
N-ethyl-2-(4-nitrophenoxy)propanamide
CID 4951333
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)butanamide
CID 4949937

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-nitrophenoxy)butanoic acid?
The IUPAC name of (2R)-2-(4-nitrophenoxy)butanoic acid (CID 7019234) is (2R)-2-(4-nitrophenoxy)butanoic acid.
What is the SMILES notation for (2R)-2-(4-nitrophenoxy)butanoic acid?
The canonical SMILES for (2R)-2-(4-nitrophenoxy)butanoic acid is CC[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)O.
What is the InChIKey of (2R)-2-(4-nitrophenoxy)butanoic acid?
The InChIKey is YPBRRZJQNAFLIJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-9(10(12)13)16-8-5-3-7(4-6-8)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-(4-nitrophenoxy)butanoic acid?
(2R)-2-(4-nitrophenoxy)butanoic acid has a molecular weight of 225.20 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-nitrophenoxy)butanoic acid is sourced from PubChem (CID 7019234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).