(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid

Name: (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₁H₁₉N₃O₅ — CID 28508379

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid

SMILESCCOC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)O)CC1

InChIInChI=1S/C11H19N3O5/c1-3-19-11(18)14-6-4-13(5-7-14)10(17)12-8(2)9(15)16/h8H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1

InChIKeyCYMGBOHARJMTAY-QMMMGPOBSA-N

MW273.29 g/mol

LogP-0.06

Rot. Bonds3

About (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid

(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 28508379) has the molecular formula C₁₁H₁₉N₃O₅ and a molecular weight of 273.29 g/mol. Its IUPAC name is (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name	(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID	28508379
Molecular Formula	C₁₁H₁₉N₃O₅
Molecular Weight	273.29 g/mol
Exact Mass	273.13
IUPAC Name	(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
SMILES	CCOC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)O)CC1
InChI	InChI=1S/C11H19N3O5/c1-3-19-11(18)14-6-4-13(5-7-14)10(17)12-8(2)9(15)16/h8H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKey	CYMGBOHARJMTAY-QMMMGPOBSA-N
XLogP	-0.06
TPSA	99.18 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.29
LogP ≤ 5	-0.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid?

The IUPAC name of (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid (CID 28508379) is (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid.

What is the SMILES notation for (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid?

The canonical SMILES for (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid is CCOC(=O)N1CCN(C(=O)N[C@@H](C)C(=O)O)CC1.

What is the InChIKey of (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid?

The InChIKey is CYMGBOHARJMTAY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19N3O5/c1-3-19-11(18)14-6-4-13(5-7-14)10(17)12-8(2)9(15)16/h8H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m0/s1.

What are the key properties of (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid?

(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 273.29 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 28508379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 28508379 — identifiers, structure, computed properties (public domain)

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