(2S)-3-amino-2-azidopropanoic acid

C3H6N4O2 — CID 11579126

IUPAC(2S)-3-amino-2-azidopropanoic acid
SMILES[N-]=[N+]=N[C@@H](CN)C(=O)O
InChIInChI=1S/C3H6N4O2/c4-1-2(3(8)9)6-7-5/h2H,1,4H2,(H,8,9)/t2-/m0/s1
InChIKeySBBBRUCOGDSJCQ-REOHCLBHSA-N
MW130.11 g/mol
LogP-0.29
Rot. Bonds3

About (2S)-3-amino-2-azidopropanoic acid

(2S)-3-amino-2-azidopropanoic acid (PubChem CID 11579126) has the molecular formula C3H6N4O2 and a molecular weight of 130.11 g/mol. Its IUPAC name is (2S)-3-amino-2-azidopropanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-azidopropanoic acid
PubChem CID11579126
Molecular FormulaC3H6N4O2
Molecular Weight130.11 g/mol
Exact Mass130.05
IUPAC Name(2S)-3-amino-2-azidopropanoic acid
SMILES[N-]=[N+]=N[C@@H](CN)C(=O)O
InChIInChI=1S/C3H6N4O2/c4-1-2(3(8)9)6-7-5/h2H,1,4H2,(H,8,9)/t2-/m0/s1
InChIKeySBBBRUCOGDSJCQ-REOHCLBHSA-N
XLogP-0.29
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.11
LogP ≤ 5-0.29
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

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CID 54415353
2-azidopent-4-enoic acid
CID 77132005
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CID 122577491
(2R)-2-azido-6-bromohexanoic acid
CID 11064392
(2S)-2,6-diazidohexanoic acid
CID 101430733
(2S)-2-azido-7-bromoheptanoic acid
CID 11010362
2-azido-7-ethoxy-7-oxoheptanoic acid
CID 139368374
(Z,2R,7R)-7-amino-2-azido-8-hydroxyoct-5-enoic acid
CID 10822509
(2S)-2-azido-3-(4-fluorophenyl)propanoic acid
CID 59552594
(2R)-2-azido-4-diethoxyphosphorylbutanoic acid
CID 101406077
sodium;(2S)-2-azido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;azide
CID 157049531
3-azidopentanedioic acid
CID 150148119

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-azidopropanoic acid?
The IUPAC name of (2S)-3-amino-2-azidopropanoic acid (CID 11579126) is (2S)-3-amino-2-azidopropanoic acid.
What is the SMILES notation for (2S)-3-amino-2-azidopropanoic acid?
The canonical SMILES for (2S)-3-amino-2-azidopropanoic acid is [N-]=[N+]=N[C@@H](CN)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-azidopropanoic acid?
The InChIKey is SBBBRUCOGDSJCQ-REOHCLBHSA-N. The full InChI is InChI=1S/C3H6N4O2/c4-1-2(3(8)9)6-7-5/h2H,1,4H2,(H,8,9)/t2-/m0/s1.
What are the key properties of (2S)-3-amino-2-azidopropanoic acid?
(2S)-3-amino-2-azidopropanoic acid has a molecular weight of 130.11 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-azidopropanoic acid is sourced from PubChem (CID 11579126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).