2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen

C11H29N3O2 — CID 154643081

IUPAC2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen
SMILESCCCCC(N)C(=O)N[C@H](C(N)=O)C(C)C.[H][H].[H][H].[H][H]
InChIInChI=1S/C11H23N3O2.3H2/c1-4-5-6-8(12)11(16)14-9(7(2)3)10(13)15;;;/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16);3*1H/t8?,9-;;;/m0.../s1
InChIKeyAISVZYZXMLPYQI-VBWSOLROSA-N
MW235.37 g/mol
LogP0.87
Rot. Bonds7

About 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen

2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen (PubChem CID 154643081) has the molecular formula C11H29N3O2 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen.

Molecular Properties

Compound Name2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen
PubChem CID154643081
Molecular FormulaC11H29N3O2
Molecular Weight235.37 g/mol
Exact Mass235.23
IUPAC Name2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen
SMILESCCCCC(N)C(=O)N[C@H](C(N)=O)C(C)C.[H][H].[H][H].[H][H]
InChIInChI=1S/C11H23N3O2.3H2/c1-4-5-6-8(12)11(16)14-9(7(2)3)10(13)15;;;/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16);3*1H/t8?,9-;;;/m0.../s1
InChIKeyAISVZYZXMLPYQI-VBWSOLROSA-N
XLogP0.87
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen with MolForge

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Related Compounds

(2S)-2-(2-aminohexanoylamino)-3-methylbutanoic acid
CID 61173844
(2S)-2-[[(2S)-2-aminohexanoyl]amino]-3-methylpentanoic acid
CID 107144854
2-[[(2S)-2-aminohexanoyl]amino]-3-hydroxybutanoic acid
CID 107144699
4-[[(2S)-2-aminohexanoyl]amino]pentanoic acid
CID 107145612
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
2-amino-N-[1-(methylamino)-1-oxopropan-2-yl]hexanamide
CID 61467506
methyl (2S)-2-[[(2R)-2-aminopentanoyl]amino]-3-methylbutanoate
CID 107568571
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-amino-N-methylhexanamide;hydrochloride
CID 141190381
(2S)-2-[[(2S)-2-aminoheptanoyl]amino]-3-hydroxybutanoic acid
CID 118409733
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen?
The IUPAC name of 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen (CID 154643081) is 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen.
What is the SMILES notation for 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen?
The canonical SMILES for 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen is CCCCC(N)C(=O)N[C@H](C(N)=O)C(C)C.[H][H].[H][H].[H][H].
What is the InChIKey of 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen?
The InChIKey is AISVZYZXMLPYQI-VBWSOLROSA-N. The full InChI is InChI=1S/C11H23N3O2.3H2/c1-4-5-6-8(12)11(16)14-9(7(2)3)10(13)15;;;/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16);3*1H/t8?,9-;;;/m0.../s1.
What are the key properties of 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen?
2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen has a molecular weight of 235.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]hexanamide;molecular hydrogen is sourced from PubChem (CID 154643081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).