2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid

C10H19N3O4 — CID 61202561

IUPAC2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)N1CCN(CCO)CC1)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-8(9(15)16)11-10(17)13-4-2-12(3-5-13)6-7-14/h8,14H,2-7H2,1H3,(H,11,17)(H,15,16)
InChIKeyPKYKLIREHPOILT-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.22
Rot. Bonds4

About 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid

2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid (PubChem CID 61202561) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
PubChem CID61202561
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)N1CCN(CCO)CC1)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-8(9(15)16)11-10(17)13-4-2-12(3-5-13)6-7-14/h8,14H,2-7H2,1H3,(H,11,17)(H,15,16)
InChIKeyPKYKLIREHPOILT-UHFFFAOYSA-N
XLogP-1.22
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
CID 61188565
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
3-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]-2-methylpropanoic acid
CID 62670111
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
N-propan-2-yl-4-propylpiperazine-1-carboxamide
CID 17185062
(2S)-2-[(4-butan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 55117131
(2S)-2-[(4-ethoxycarbonylpiperazine-1-carbonyl)amino]propanoic acid
CID 28508379
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243
(2S)-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 942904
2-[(4-hydroxypiperidine-1-carbonyl)amino]propanoic acid
CID 61189969
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid (CID 61202561) is 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid is CC(NC(=O)N1CCN(CCO)CC1)C(=O)O.
What is the InChIKey of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid?
The InChIKey is PKYKLIREHPOILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-8(9(15)16)11-10(17)13-4-2-12(3-5-13)6-7-14/h8,14H,2-7H2,1H3,(H,11,17)(H,15,16).
What are the key properties of 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid?
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61202561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).