(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide

C9H19N3O2 — CID 88560908

IUPAC(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
SMILESCCCC[C@H](C=O)NC(=O)[C@H](N)CN
InChIInChI=1S/C9H19N3O2/c1-2-3-4-7(6-13)12-9(14)8(11)5-10/h6-8H,2-5,10-11H2,1H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyIXCXAAMCGOCVDT-HTQZYQBOSA-N
MW201.27 g/mol
LogP-0.85
Rot. Bonds7

About (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide

(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide (PubChem CID 88560908) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
PubChem CID88560908
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
SMILESCCCC[C@H](C=O)NC(=O)[C@H](N)CN
InChIInChI=1S/C9H19N3O2/c1-2-3-4-7(6-13)12-9(14)8(11)5-10/h6-8H,2-5,10-11H2,1H3,(H,12,14)/t7-,8-/m1/s1
InChIKeyIXCXAAMCGOCVDT-HTQZYQBOSA-N
XLogP-0.85
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,3-diamino-N-[(2S)-6-amino-1-oxohexan-2-yl]propanamide
CID 87430272
2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
3-amino-4-[(5-amino-1-oxopentan-2-yl)amino]-4-oxobutanoic acid
CID 123919208
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
N-(1-oxohexan-2-yl)decanamide
CID 57129531
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2R)-2-amino-4-methylsulfanyl-N-[(2R)-4-methylsulfanyl-1-oxobutan-2-yl]butanamide
CID 89085990
(2R)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 20610969
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanamide
CID 18755169
2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
CID 123738859
(4S)-4-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoic acid
CID 54125890
(2S)-2,6-diamino-N-[(2S)-4-methyl-1-oxopentan-2-yl]hexanamide
CID 54330338

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide?
The IUPAC name of (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide (CID 88560908) is (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide.
What is the SMILES notation for (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide?
The canonical SMILES for (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide is CCCC[C@H](C=O)NC(=O)[C@H](N)CN.
What is the InChIKey of (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide?
The InChIKey is IXCXAAMCGOCVDT-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-2-3-4-7(6-13)12-9(14)8(11)5-10/h6-8H,2-5,10-11H2,1H3,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide?
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide has a molecular weight of 201.27 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide is sourced from PubChem (CID 88560908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).