(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid

C10H18N2O4 — CID 94396893

IUPAC(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
SMILESCCOC(=O)N1CCN([C@H](C)C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-3-16-10(15)12-6-4-11(5-7-12)8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyUHASFCKGQIETJH-MRVPVSSYSA-N
MW230.26 g/mol
LogP0.23
Rot. Bonds3

About (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid

(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid (PubChem CID 94396893) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
PubChem CID94396893
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid
SMILESCCOC(=O)N1CCN([C@H](C)C(=O)O)CC1
InChIInChI=1S/C10H18N2O4/c1-3-16-10(15)12-6-4-11(5-7-12)8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1
InChIKeyUHASFCKGQIETJH-MRVPVSSYSA-N
XLogP0.23
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 40525482
ethyl 4-(1-methoxy-1-oxopropan-2-yl)piperazine-1-carboxylate
CID 3788456
2-(4-methoxycarbonylpiperazin-1-yl)propanoic acid
CID 62309651
2-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]propanoic acid
CID 63310757
(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
CID 28508379
2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-[4-[ethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62311309
2-[4-(2-amino-2-methylbutanoyl)piperazin-1-yl]propanoic acid
CID 79811102
2-[4-[2-ethoxyethyl(methyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 81058100
ethyl 4-[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl]piperazine-1-carboxylate
CID 9431113
ethyl 4-carbamoylpiperazine-1-carboxylate
CID 82076471
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 107877476

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid?
The IUPAC name of (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid (CID 94396893) is (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid is CCOC(=O)N1CCN([C@H](C)C(=O)O)CC1.
What is the InChIKey of (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid?
The InChIKey is UHASFCKGQIETJH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-16-10(15)12-6-4-11(5-7-12)8(2)9(13)14/h8H,3-7H2,1-2H3,(H,13,14)/t8-/m1/s1.
What are the key properties of (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid?
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethoxycarbonylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 94396893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).