(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid

C10H10N2O6 — CID 134353759

IUPAC(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid
SMILESO=CN[C@@H](COc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H10N2O6/c13-6-11-7(10(14)15)5-18-9-4-2-1-3-8(9)12(16)17/h1-4,6-7H,5H2,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyMRPCUIIYMOBNBY-ZETCQYMHSA-N
MW254.20 g/mol
LogP0.17
Rot. Bonds7

About (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid

(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid (PubChem CID 134353759) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid
PubChem CID134353759
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid
SMILESO=CN[C@@H](COc1ccccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H10N2O6/c13-6-11-7(10(14)15)5-18-9-4-2-1-3-8(9)12(16)17/h1-4,6-7H,5H2,(H,11,13)(H,14,15)/t7-/m0/s1
InChIKeyMRPCUIIYMOBNBY-ZETCQYMHSA-N
XLogP0.17
TPSA118.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

(2S)-2-(2-nitrophenoxy)propanoic acid
CID 841636
2-methyl-3-(2-nitrophenoxy)propanimidamide
CID 114995802
(2S)-2-[[2-(2-nitrophenoxy)acetyl]amino]hexanoic acid
CID 120614484
4-methoxy-2-[[2-(2-nitrophenoxy)acetyl]amino]butanoic acid
CID 120702454
1-(2-methylbut-3-enoxy)-2-nitrobenzene
CID 57040148
N-ethyl-2-(2-nitrophenoxy)acetamide
CID 2500383
methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylprop-2-enoate
CID 25243125
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
1-(4-bromophenyl)-2-(2-nitrophenoxy)ethanol
CID 110884570
(2S,3S)-3-methyl-2-[2-(2-nitrophenoxy)ethylamino]pentanoic acid
CID 122100115
1-(2-nitrophenoxy)-3-(1-phenylethylamino)propan-2-ol
CID 3409707
N-benzyl-2-(2-nitrophenoxy)ethanamine;oxalic acid
CID 2935371

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid?
The IUPAC name of (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid (CID 134353759) is (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid?
The canonical SMILES for (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid is O=CN[C@@H](COc1ccccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid?
The InChIKey is MRPCUIIYMOBNBY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10N2O6/c13-6-11-7(10(14)15)5-18-9-4-2-1-3-8(9)12(16)17/h1-4,6-7H,5H2,(H,11,13)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid?
(2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid has a molecular weight of 254.20 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-3-(2-nitrophenoxy)propanoic acid is sourced from PubChem (CID 134353759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).