methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate

C14H27N3O3 — CID 82756025

IUPACmethyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)CN1CCNC[C@H]1C)C(=O)OC
InChIInChI=1S/C14H27N3O3/c1-5-10(2)13(14(19)20-4)16-12(18)9-17-7-6-15-8-11(17)3/h10-11,13,15H,5-9H2,1-4H3,(H,16,18)/t10?,11-,13?/m1/s1
InChIKeyNIXSTTXDMIHYBZ-QWKFWESOSA-N
MW285.39 g/mol
LogP-0.02
Rot. Bonds6

About methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate

methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate (PubChem CID 82756025) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate
PubChem CID82756025
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namemethyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate
SMILESCCC(C)C(NC(=O)CN1CCNC[C@H]1C)C(=O)OC
InChIInChI=1S/C14H27N3O3/c1-5-10(2)13(14(19)20-4)16-12(18)9-17-7-6-15-8-11(17)3/h10-11,13,15H,5-9H2,1-4H3,(H,16,18)/t10?,11-,13?/m1/s1
InChIKeyNIXSTTXDMIHYBZ-QWKFWESOSA-N
XLogP-0.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate with MolForge

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Related Compounds

methyl 2-methyl-3-[(2R)-2-methylpiperazin-1-yl]propanoate
CID 82760949
N-methyl-2-(2-methylpiperazin-1-yl)acetamide
CID 62674057
2-[(2R)-2-methylpiperazin-1-yl]-N-propylacetamide
CID 82713907
ethyl 2-(2-methylpiperazin-1-yl)acetate
CID 62672980
N-(cyanomethyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755097
N-(2-methylbutan-2-yl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713214
2-(2-methylpiperazin-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 62673320
N-(methylcarbamoyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673678
2-[(2S)-2-methylpiperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 82705954
3-(2-methylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 62671402
methyl 2-[[2-(4-hydroxy-4-methylpiperidin-1-yl)acetyl]amino]-3-methylpentanoate
CID 80703334
N-(3-methylbutylcarbamoyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704951

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate?
The IUPAC name of methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate (CID 82756025) is methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate.
What is the SMILES notation for methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate?
The canonical SMILES for methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate is CCC(C)C(NC(=O)CN1CCNC[C@H]1C)C(=O)OC.
What is the InChIKey of methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate?
The InChIKey is NIXSTTXDMIHYBZ-QWKFWESOSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-10(2)13(14(19)20-4)16-12(18)9-17-7-6-15-8-11(17)3/h10-11,13,15H,5-9H2,1-4H3,(H,16,18)/t10?,11-,13?/m1/s1.
What are the key properties of methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate?
methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate has a molecular weight of 285.39 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[2-[(2R)-2-methylpiperazin-1-yl]acetyl]amino]pentanoate is sourced from PubChem (CID 82756025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).