(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid

C7H12N4O3 — CID 122451171

IUPAC(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid
SMILESCC(C)C(=O)N[C@H](CN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H12N4O3/c1-4(2)6(12)10-5(7(13)14)3-9-11-8/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)/t5-/m1/s1
InChIKeyPJXQIZLEQIPEJQ-RXMQYKEDSA-N
MW200.20 g/mol
LogP0.52
Rot. Bonds5

About (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid

(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid (PubChem CID 122451171) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid
PubChem CID122451171
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Name(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid
SMILESCC(C)C(=O)N[C@H](CN=[N+]=[N-])C(=O)O
InChIInChI=1S/C7H12N4O3/c1-4(2)6(12)10-5(7(13)14)3-9-11-8/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)/t5-/m1/s1
InChIKeyPJXQIZLEQIPEJQ-RXMQYKEDSA-N
XLogP0.52
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 ≤ 50.52
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

(2R)-3-azido-2-[[(2R)-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]propanoic acid
CID 122462202
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
CID 118525657
4-methoxy-2-(2-methylpropanoylamino)-4-oxobutanoic acid
CID 76989109
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
CID 162717706
N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
(1-azido-4-methylpentan-2-yl)carbamic acid
CID 174780180
2-[2-(4-azidobutanoylamino)propanoylamino]pentanedioic acid
CID 122616995
2-(2-azidoethylamino)pentanoic acid
CID 66191397
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391

Frequently Asked Questions

What is the IUPAC name of (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid (CID 122451171) is (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid is CC(C)C(=O)N[C@H](CN=[N+]=[N-])C(=O)O.
What is the InChIKey of (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid?
The InChIKey is PJXQIZLEQIPEJQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-4(2)6(12)10-5(7(13)14)3-9-11-8/h4-5H,3H2,1-2H3,(H,10,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid?
(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid has a molecular weight of 200.20 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid is sourced from PubChem (CID 122451171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).