[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid

C5H10N4O3 — CID 118525657

IUPAC[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C5H10N4O3/c1-3(8-5(11)12)4(10)2-7-9-6/h3-4,8,10H,2H2,1H3,(H,11,12)/t3-,4?/m0/s1
InChIKeyMPPFIJZISKJLNT-WUCPZUCCSA-N
MW174.16 g/mol
LogP0.31
Rot. Bonds4

About [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid

[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid (PubChem CID 118525657) has the molecular formula C5H10N4O3 and a molecular weight of 174.16 g/mol. Its IUPAC name is [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
PubChem CID118525657
Molecular FormulaC5H10N4O3
Molecular Weight174.16 g/mol
Exact Mass174.08
IUPAC Name[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
SMILESC[C@H](NC(=O)O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C5H10N4O3/c1-3(8-5(11)12)4(10)2-7-9-6/h3-4,8,10H,2H2,1H3,(H,11,12)/t3-,4?/m0/s1
InChIKeyMPPFIJZISKJLNT-WUCPZUCCSA-N
XLogP0.31
TPSA118.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.31
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid (CID 118525657) is [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid is C[C@H](NC(=O)O)C(O)CN=[N+]=[N-].
What is the InChIKey of [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid?
The InChIKey is MPPFIJZISKJLNT-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H10N4O3/c1-3(8-5(11)12)4(10)2-7-9-6/h3-4,8,10H,2H2,1H3,(H,11,12)/t3-,4?/m0/s1.
What are the key properties of [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid?
[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid has a molecular weight of 174.16 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid is sourced from PubChem (CID 118525657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).