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

C11H21N3O3 — CID 61188565

IUPAC2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCCCN1CCN(C(=O)NC(C)C(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-3-4-13-5-7-14(8-6-13)11(17)12-9(2)10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyTUEOXZIJUBCWGQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds4

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

2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 61188565) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID61188565
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCCCN1CCN(C(=O)NC(C)C(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-3-4-13-5-7-14(8-6-13)11(17)12-9(2)10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyTUEOXZIJUBCWGQ-UHFFFAOYSA-N
XLogP0.20
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]propanoic acid
CID 61202561
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
N-[(2S)-1-methoxypropan-2-yl]-4-propylpiperazine-1-carboxamide
CID 97098734
(2S)-2-(piperidine-1-carbonylamino)propanoic acid
CID 945005
5-amino-5-oxo-2-[(4-propylpiperazine-1-carbonyl)amino]pentanoic acid
CID 61188919
4-(2-hydroxyethyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 43501412
3-[4-(pentan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61182383
3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 61188640
(2R)-2-(piperazine-1-carbonylamino)propanoic acid
CID 78972178
3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]propanoic acid
CID 43522243

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid (CID 61188565) is 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid is CCCN1CCN(C(=O)NC(C)C(=O)O)CC1.
What is the InChIKey of 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is TUEOXZIJUBCWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-13-5-7-14(8-6-13)11(17)12-9(2)10(15)16/h9H,3-8H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid?
2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61188565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).