(1-azido-4-methylpentan-2-yl)carbamic acid

C7H14N4O2 — CID 174780180

IUPAC(1-azido-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)CC(CN=[N+]=[N-])NC(=O)O
InChIInChI=1S/C7H14N4O2/c1-5(2)3-6(4-9-11-8)10-7(12)13/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyCNNXFGSVEULEAY-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.98
Rot. Bonds5

About (1-azido-4-methylpentan-2-yl)carbamic acid

(1-azido-4-methylpentan-2-yl)carbamic acid (PubChem CID 174780180) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is (1-azido-4-methylpentan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-azido-4-methylpentan-2-yl)carbamic acid
PubChem CID174780180
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name(1-azido-4-methylpentan-2-yl)carbamic acid
SMILESCC(C)CC(CN=[N+]=[N-])NC(=O)O
InChIInChI=1S/C7H14N4O2/c1-5(2)3-6(4-9-11-8)10-7(12)13/h5-6,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyCNNXFGSVEULEAY-UHFFFAOYSA-N
XLogP1.98
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

[(2S)-4-azido-3-hydroxybutan-2-yl]carbamic acid
CID 118525657
3-(carboxyamino)-5-methylhexanoic acid
CID 174574418
(1-amino-4-methylpentan-2-yl)carbamic acid
CID 19820731
[(3S)-1-hydrazinyl-5-methyl-1-oxohexan-3-yl]carbamic acid
CID 174157890
(2R)-3-azido-2-methylpropanoic acid
CID 13116883
(2S)-1-azido-4-methylpentan-2-ol
CID 99983319
(2R)-3-azido-2-(2-methylpropanoylamino)propanoic acid
CID 122451171
[(2S)-1-azido-4-methylpentan-2-yl]-tert-butylcarbamic acid
CID 54071129
(1-azido-4-methylpentan-2-yl)-tert-butylcarbamic acid
CID 19820738
(2S,3S)-2-amino-4-azido-3-methylbutanoic acid
CID 162717706
butyl N-(1,3-diazidopropan-2-yl)carbamate
CID 175885184
(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide
CID 90700982

Frequently Asked Questions

What is the IUPAC name of (1-azido-4-methylpentan-2-yl)carbamic acid?
The IUPAC name of (1-azido-4-methylpentan-2-yl)carbamic acid (CID 174780180) is (1-azido-4-methylpentan-2-yl)carbamic acid.
What is the SMILES notation for (1-azido-4-methylpentan-2-yl)carbamic acid?
The canonical SMILES for (1-azido-4-methylpentan-2-yl)carbamic acid is CC(C)CC(CN=[N+]=[N-])NC(=O)O.
What is the InChIKey of (1-azido-4-methylpentan-2-yl)carbamic acid?
The InChIKey is CNNXFGSVEULEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5(2)3-6(4-9-11-8)10-7(12)13/h5-6,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of (1-azido-4-methylpentan-2-yl)carbamic acid?
(1-azido-4-methylpentan-2-yl)carbamic acid has a molecular weight of 186.21 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-azido-4-methylpentan-2-yl)carbamic acid is sourced from PubChem (CID 174780180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).