(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide

C11H21N5O — CID 90700982

IUPAC(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC=CCCCN=[N+]=[N-]
InChIInChI=1S/C11H21N5O/c1-9(2)8-10(12)11(17)14-6-4-3-5-7-15-16-13/h4,6,9-10H,3,5,7-8,12H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyNVLUBVMSTVUHHQ-SNVBAGLBSA-N
MW239.32 g/mol
LogP2.08
Rot. Bonds8

About (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide

(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide (PubChem CID 90700982) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide
PubChem CID90700982
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide
SMILESCC(C)C[C@@H](N)C(=O)NC=CCCCN=[N+]=[N-]
InChIInChI=1S/C11H21N5O/c1-9(2)8-10(12)11(17)14-6-4-3-5-7-15-16-13/h4,6,9-10H,3,5,7-8,12H2,1-2H3,(H,14,17)/t10-/m1/s1
InChIKeyNVLUBVMSTVUHHQ-SNVBAGLBSA-N
XLogP2.08
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

N-(3-azidopropyl)-2-methylpropanamide
CID 61343977
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride
CID 174418018
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(1-azido-4-methylpentan-2-yl)carbamic acid
CID 174780180
2-methyl-N-pent-1-enylpropanamide
CID 123152081
N-(4-azidobutyl)-3-methylbutanamide
CID 106386682
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
1-azido-4-methylpentane
CID 58070777
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
1-diazo-3-[(E)-pent-1-enyl]urea
CID 131235795

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide (CID 90700982) is (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide is CC(C)C[C@@H](N)C(=O)NC=CCCCN=[N+]=[N-].
What is the InChIKey of (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide?
The InChIKey is NVLUBVMSTVUHHQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N5O/c1-9(2)8-10(12)11(17)14-6-4-3-5-7-15-16-13/h4,6,9-10H,3,5,7-8,12H2,1-2H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide?
(2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide has a molecular weight of 239.32 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-azidopent-1-enyl)-4-methylpentanamide is sourced from PubChem (CID 90700982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).