(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid

C14H27N3O3 — CID 80548885

IUPAC(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)N1CCNCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-10(2)11(12(18)19)16-13(20)14(3,4)17-8-6-15-7-9-17/h10-11,15H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t10-,11-/m0/s1
InChIKeyYAZFTQQJDHWPAD-QWRGUYRKSA-N
MW285.39 g/mol
LogP0.29
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid (PubChem CID 80548885) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
PubChem CID80548885
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(C)(C)N1CCNCC1)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-10(2)11(12(18)19)16-13(20)14(3,4)17-8-6-15-7-9-17/h10-11,15H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t10-,11-/m0/s1
InChIKeyYAZFTQQJDHWPAD-QWRGUYRKSA-N
XLogP0.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid with MolForge

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Related Compounds

N-butan-2-yl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548261
3-methyl-2-(piperazine-1-carbonylamino)pentanoic acid
CID 61405662
(2S)-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]hexanoic acid
CID 107146916
N-(1-hydroxy-3-methylbutan-2-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80551216
3-methyl-2-(2-piperazin-1-ylethylcarbamoylamino)pentanoic acid
CID 61408451
N-(2,3-dimethylbutyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80550084
N-ethyl-2-methyl-2-piperazin-1-ylpropanamide
CID 80548345
3-methyl-2-[(2,2,2-trichloroacetyl)amino]pentanoic acid
CID 21402667
N-ethoxy-2-methyl-2-piperazin-1-ylpropanamide
CID 80549897
(2S,3S)-2-[(2-methoxy-2-methylpropanoyl)amino]-3-methylpentanoic acid
CID 103018390
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
methyl 2,4-dimethyl-2-piperazin-1-ylpentanoate
CID 61002266

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid (CID 80548885) is (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)C(C)(C)N1CCNCC1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid?
The InChIKey is YAZFTQQJDHWPAD-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-10(2)11(12(18)19)16-13(20)14(3,4)17-8-6-15-7-9-17/h10-11,15H,5-9H2,1-4H3,(H,16,20)(H,18,19)/t10-,11-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(2-methyl-2-piperazin-1-ylpropanoyl)amino]pentanoic acid is sourced from PubChem (CID 80548885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).