N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride

C13H28ClN3O2 — CID 120509012

IUPACN-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)N[C@@H](C)CN)C(C)C.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-8(2)6-11(17)16-12(9(3)4)13(18)15-10(5)7-14;/h8-10,12H,6-7,14H2,1-5H3,(H,15,18)(H,16,17);1H/t10-,12?;/m0./s1
InChIKeyVDTKIMVUDVDPPC-JQQXDGTNSA-N
MW293.84 g/mol
LogP1.06
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride (PubChem CID 120509012) has the molecular formula C13H28ClN3O2 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
PubChem CID120509012
Molecular FormulaC13H28ClN3O2
Molecular Weight293.84 g/mol
Exact Mass293.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
SMILESCC(C)CC(=O)NC(C(=O)N[C@@H](C)CN)C(C)C.Cl
InChIInChI=1S/C13H27N3O2.ClH/c1-8(2)6-11(17)16-12(9(3)4)13(18)15-10(5)7-14;/h8-10,12H,6-7,14H2,1-5H3,(H,15,18)(H,16,17);1H/t10-,12?;/m0./s1
InChIKeyVDTKIMVUDVDPPC-JQQXDGTNSA-N
XLogP1.06
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride with MolForge

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Related Compounds

3-methyl-N-[2-(methylamino)ethyl]-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119504149
(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
N-[(2R)-1-aminopropan-2-yl]-2,3-dimethylbutanamide
CID 104873144
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
CID 171621434
N-[(2R)-1-aminopropan-2-yl]-3,4,4-trimethylpentanamide
CID 104873024
2-amino-N-[(2R)-1-aminopropan-2-yl]propanamide
CID 130611964
benzyl (2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoate
CID 10715444
ethyl (3R,4R)-3-hydroxy-6-methyl-4-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
CID 56845744
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119459369
(2S)-N-[(2S)-1-[(3-hydroxy-6-methyl-1-oxoheptan-4-yl)amino]-3-methyl-1-oxobutan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 173329160
N-(2-hydroxyethyl)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide
CID 110898761

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride (CID 120509012) is N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride is CC(C)CC(=O)NC(C(=O)N[C@@H](C)CN)C(C)C.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride?
The InChIKey is VDTKIMVUDVDPPC-JQQXDGTNSA-N. The full InChI is InChI=1S/C13H27N3O2.ClH/c1-8(2)6-11(17)16-12(9(3)4)13(18)15-10(5)7-14;/h8-10,12H,6-7,14H2,1-5H3,(H,15,18)(H,16,17);1H/t10-,12?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride has a molecular weight of 293.84 g/mol, XLogP of 1.06, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride is sourced from PubChem (CID 120509012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).