(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide

C11H24N4O — CID 83017050

IUPAC(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H24N4O/c1-4-9(2)10(12)11(16)13-15-7-5-14(3)6-8-15/h9-10H,4-8,12H2,1-3H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyIDAIPEZLTKMTMQ-UWVGGRQHSA-N
MW228.34 g/mol
LogP-0.36
Rot. Bonds4

About (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 83017050) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
PubChem CID83017050
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C11H24N4O/c1-4-9(2)10(12)11(16)13-15-7-5-14(3)6-8-15/h9-10H,4-8,12H2,1-3H3,(H,13,16)/t9-,10-/m0/s1
InChIKeyIDAIPEZLTKMTMQ-UWVGGRQHSA-N
XLogP-0.36
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-methylpiperazin-1-yl)butanediamide
CID 83015245
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-3-methylpentanamide
CID 107163906
(2S)-2-amino-3-methyl-N-pyrrol-1-ylpentanamide
CID 79100766
(2R,3R)-2-amino-N-[(2S)-butan-2-yl]-3-methylpentanamide
CID 93001596
2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 119861312
2-bromo-3-methyl-N-(4-methylpiperazin-1-yl)butanamide
CID 83011685
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
benzyl N-[(2S,3S)-3-methyl-1-[(4-methylpiperazin-1-yl)amino]-1-oxopentan-2-yl]carbamate
CID 9205074
2-amino-3-methyl-N-(2-piperidin-1-ylethyl)pentanamide
CID 54967720
(2S,3S)-2-amino-N',N',3-trimethylpentanehydrazide
CID 83021185
2-amino-3-methyl-N-(3-pyrrolidin-1-ylpropyl)pentanamide
CID 43362927
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide (CID 83017050) is (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide is CC[C@H](C)[C@H](N)C(=O)NN1CCN(C)CC1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is IDAIPEZLTKMTMQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H24N4O/c1-4-9(2)10(12)11(16)13-15-7-5-14(3)6-8-15/h9-10H,4-8,12H2,1-3H3,(H,13,16)/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 228.34 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 83017050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).