(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride

C12H26ClN3O2 — CID 119703887

IUPAC(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCC(=O)NC(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-8(2)7-10(13)12(17)14-6-5-11(16)15-9(3)4;/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16);1H/t10-;/m0./s1
InChIKeyAQEWDMYEPQXCPT-PPHPATTJSA-N
MW279.81 g/mol
LogP0.81
Rot. Bonds7

About (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride

(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride (PubChem CID 119703887) has the molecular formula C12H26ClN3O2 and a molecular weight of 279.81 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
PubChem CID119703887
Molecular FormulaC12H26ClN3O2
Molecular Weight279.81 g/mol
Exact Mass279.17
IUPAC Name(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCC(=O)NC(C)C.Cl
InChIInChI=1S/C12H25N3O2.ClH/c1-8(2)7-10(13)12(17)14-6-5-11(16)15-9(3)4;/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16);1H/t10-;/m0./s1
InChIKeyAQEWDMYEPQXCPT-PPHPATTJSA-N
XLogP0.81
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 103794522
2-amino-3-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]butanamide
CID 115733718
(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
CID 104902959
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
3-amino-4-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 64896520
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
1-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119703846
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride (CID 119703887) is (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)NCCC(=O)NC(C)C.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride?
The InChIKey is AQEWDMYEPQXCPT-PPHPATTJSA-N. The full InChI is InChI=1S/C12H25N3O2.ClH/c1-8(2)7-10(13)12(17)14-6-5-11(16)15-9(3)4;/h8-10H,5-7,13H2,1-4H3,(H,14,17)(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride?
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride has a molecular weight of 279.81 g/mol, XLogP of 0.81, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride is sourced from PubChem (CID 119703887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).