(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide

C10H20N6O2 — CID 146234106

IUPAC(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide
SMILESCNC(=O)[C@H](CCCCN)NC(=O)CCN=[N+]=[N-]
InChIInChI=1S/C10H20N6O2/c1-13-10(18)8(4-2-3-6-11)15-9(17)5-7-14-16-12/h8H,2-7,11H2,1H3,(H,13,18)(H,15,17)/t8-/m0/s1
InChIKeyDCPOAVLDZMRHIN-QMMMGPOBSA-N
MW256.31 g/mol
LogP0.05
Rot. Bonds9

About (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide

(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide (PubChem CID 146234106) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide.

Molecular Properties

Compound Name(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide
PubChem CID146234106
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide
SMILESCNC(=O)[C@H](CCCCN)NC(=O)CCN=[N+]=[N-]
InChIInChI=1S/C10H20N6O2/c1-13-10(18)8(4-2-3-6-11)15-9(17)5-7-14-16-12/h8H,2-7,11H2,1H3,(H,13,18)(H,15,17)/t8-/m0/s1
InChIKeyDCPOAVLDZMRHIN-QMMMGPOBSA-N
XLogP0.05
TPSA132.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
(2S)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574815
2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979
(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-(methylamino)-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-(hexadecanoylamino)-5-oxopentanoic acid
CID 88573015
(2S)-6-amino-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]-N-(4-methylphenyl)hexanamide
CID 174056625
(2S)-6-amino-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]-N-(4-methylphenyl)hexanamide
CID 174056301
(2R)-6-amino-2-(2-azidoethoxycarbonylamino)hexanoic acid
CID 156538701
2-(butanoylamino)-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-(methylamino)-1-oxopentan-2-yl]pentanamide
CID 166987114
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
(4S)-5-[[(2S)-6-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2-[[2-[[(2S)-6-azido-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]butanoyl]amino]hexanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 122204304
12-amino-N-[6-amino-1-[[12-[[6-amino-1-[[12-[(1,6-diamino-1-oxohexan-2-yl)amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]amino]-12-oxododecyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 25144019

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide?
The IUPAC name of (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide (CID 146234106) is (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide.
What is the SMILES notation for (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide?
The canonical SMILES for (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide is CNC(=O)[C@H](CCCCN)NC(=O)CCN=[N+]=[N-].
What is the InChIKey of (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide?
The InChIKey is DCPOAVLDZMRHIN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-13-10(18)8(4-2-3-6-11)15-9(17)5-7-14-16-12/h8H,2-7,11H2,1H3,(H,13,18)(H,15,17)/t8-/m0/s1.
What are the key properties of (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide?
(2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide has a molecular weight of 256.31 g/mol, XLogP of 0.05, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(3-azidopropanoylamino)-N-methylhexanamide is sourced from PubChem (CID 146234106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).