2-(3-azidopropanoylamino)-2-methylpropanoic acid

C7H12N4O3 — CID 71480870

IUPAC2-(3-azidopropanoylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)CCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H12N4O3/c1-7(2,6(13)14)10-5(12)3-4-9-11-8/h3-4H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyFBTGIYZCNVOHED-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.67
Rot. Bonds5

About 2-(3-azidopropanoylamino)-2-methylpropanoic acid

2-(3-azidopropanoylamino)-2-methylpropanoic acid (PubChem CID 71480870) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-(3-azidopropanoylamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(3-azidopropanoylamino)-2-methylpropanoic acid
PubChem CID71480870
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name2-(3-azidopropanoylamino)-2-methylpropanoic acid
SMILESCC(C)(NC(=O)CCN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H12N4O3/c1-7(2,6(13)14)10-5(12)3-4-9-11-8/h3-4H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyFBTGIYZCNVOHED-UHFFFAOYSA-N
XLogP0.67
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(pent-4-enoylamino)propanoic acid
CID 62680056
2-[[3-(2-carboxypropan-2-ylamino)-2,2-dimethyl-3-oxopropanoyl]amino]-2-methylpropanoic acid
CID 11312683
2-(2-azidoethylamino)-2-propylpentanoic acid
CID 66190985
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
2-(3-ethylpentanoylamino)-2-methylpropanoic acid
CID 120516010
2-(2-azidoethylamino)ethylcarbamic acid
CID 174165212
3-(2-azidoethylamino)propanamide
CID 89151480
7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
CID 86614265
2-methyl-2-[4-(4-propylphenyl)butanoylamino]propanoic acid
CID 82224505
2-methyl-2-[3-(1-methylpiperidin-4-yl)propanoylamino]propanoic acid
CID 110837588
S-phenyl 3-(3-azidopropanoylamino)propanethioate
CID 71480875
tert-butyl 3-[2-[3-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 172639391

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropanoylamino)-2-methylpropanoic acid?
The IUPAC name of 2-(3-azidopropanoylamino)-2-methylpropanoic acid (CID 71480870) is 2-(3-azidopropanoylamino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(3-azidopropanoylamino)-2-methylpropanoic acid?
The canonical SMILES for 2-(3-azidopropanoylamino)-2-methylpropanoic acid is CC(C)(NC(=O)CCN=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-(3-azidopropanoylamino)-2-methylpropanoic acid?
The InChIKey is FBTGIYZCNVOHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-7(2,6(13)14)10-5(12)3-4-9-11-8/h3-4H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 2-(3-azidopropanoylamino)-2-methylpropanoic acid?
2-(3-azidopropanoylamino)-2-methylpropanoic acid has a molecular weight of 200.20 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropanoylamino)-2-methylpropanoic acid is sourced from PubChem (CID 71480870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).