(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide

C8H18N4O2S — CID 54003178

IUPAC(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C8H18N4O2S/c9-3-1-2-5(10)8(14)12-6(4-15)7(11)13/h5-6,15H,1-4,9-10H2,(H2,11,13)(H,12,14)/t5-,6-/m0/s1
InChIKeyKNAPVIXSDMFPCL-WDSKDSINSA-N
MW234.32 g/mol
LogP-2.05
Rot. Bonds7

About (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide

(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide (PubChem CID 54003178) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide
PubChem CID54003178
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide
SMILESNCCC[C@H](N)C(=O)N[C@@H](CS)C(N)=O
InChIInChI=1S/C8H18N4O2S/c9-3-1-2-5(10)8(14)12-6(4-15)7(11)13/h5-6,15H,1-4,9-10H2,(H2,11,13)(H,12,14)/t5-,6-/m0/s1
InChIKeyKNAPVIXSDMFPCL-WDSKDSINSA-N
XLogP-2.05
TPSA124.23 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-2.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide with MolForge

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Related Compounds

4-amino-2-[[2-(2,6-diaminohexanoylamino)-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid
CID 18222400
(2R)-2,5-diamino-N-[(2R)-1-[[(2R)-1,5-diamino-1-oxopentan-2-yl]amino]-3-hydrazinyl-1-oxopropan-2-yl]pentanamide
CID 122462120
2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-3-sulfanylpropanoic acid
CID 18222521
2-amino-N-(1-amino-1-oxo-4-sulfanylbutan-2-yl)-4-sulfanylbutanamide
CID 118120024
2-[[4-amino-2-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoic acid
CID 18306706
(2R)-2,6-diamino-N-[(3R)-7-amino-2-oxoheptan-3-yl]hexanamide
CID 178156190
5-amino-2-(2,6-diaminohexanoylamino)pentanoic acid
CID 71340044
(3S)-4-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-[[(2S)-2,3-diaminopropanoyl]amino]-4-oxobutanoic acid
CID 126611530
5-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 18304204
(4S)-4-amino-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 11000252
6-amino-2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-sulfanylpropanoyl]amino]hexanoic acid
CID 18219834
2-[[6-amino-2-[[6-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]hexanoyl]amino]hexanoyl]amino]-3-sulfanylpropanoic acid
CID 18481379

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide?
The IUPAC name of (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide (CID 54003178) is (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide.
What is the SMILES notation for (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide?
The canonical SMILES for (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide is NCCC[C@H](N)C(=O)N[C@@H](CS)C(N)=O.
What is the InChIKey of (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide?
The InChIKey is KNAPVIXSDMFPCL-WDSKDSINSA-N. The full InChI is InChI=1S/C8H18N4O2S/c9-3-1-2-5(10)8(14)12-6(4-15)7(11)13/h5-6,15H,1-4,9-10H2,(H2,11,13)(H,12,14)/t5-,6-/m0/s1.
What are the key properties of (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide?
(2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide has a molecular weight of 234.32 g/mol, XLogP of -2.05, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]pentanamide is sourced from PubChem (CID 54003178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).