methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate

C10H19N3O3 — CID 165430514

IUPACmethyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C10H19N3O3/c1-8-7-13(6-5-11-8)10(15)12-4-3-9(14)16-2/h8,11H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyVPUKCUMJRAPXNW-QMMMGPOBSA-N
MW229.28 g/mol
LogP-0.45
Rot. Bonds3

About methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate

methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate (PubChem CID 165430514) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
PubChem CID165430514
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Namemethyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)N1CCN[C@@H](C)C1
InChIInChI=1S/C10H19N3O3/c1-8-7-13(6-5-11-8)10(15)12-4-3-9(14)16-2/h8,11H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1
InChIKeyVPUKCUMJRAPXNW-QMMMGPOBSA-N
XLogP-0.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate (CID 165430514) is methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate is COC(=O)CCNC(=O)N1CCN[C@@H](C)C1.
What is the InChIKey of methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate?
The InChIKey is VPUKCUMJRAPXNW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-8-7-13(6-5-11-8)10(15)12-4-3-9(14)16-2/h8,11H,3-7H2,1-2H3,(H,12,15)/t8-/m0/s1.
What are the key properties of methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate?
methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate has a molecular weight of 229.28 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3S)-3-methylpiperazine-1-carbonyl]amino]propanoate is sourced from PubChem (CID 165430514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).