2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid

C10H19N3O4 — CID 107836104

IUPAC2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
SMILESO=C(CN1CCNCC1)NCCC(O)C(=O)O
InChIInChI=1S/C10H19N3O4/c14-8(10(16)17)1-2-12-9(15)7-13-5-3-11-4-6-13/h8,11,14H,1-7H2,(H,12,15)(H,16,17)
InChIKeySMFSVWWBSBRDSV-UHFFFAOYSA-N
MW245.28 g/mol
LogP-2.16
Rot. Bonds6

About 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid

2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid (PubChem CID 107836104) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
PubChem CID107836104
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
SMILESO=C(CN1CCNCC1)NCCC(O)C(=O)O
InChIInChI=1S/C10H19N3O4/c14-8(10(16)17)1-2-12-9(15)7-13-5-3-11-4-6-13/h8,11,14H,1-7H2,(H,12,15)(H,16,17)
InChIKeySMFSVWWBSBRDSV-UHFFFAOYSA-N
XLogP-2.16
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 66167593
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 106247485
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723
2-[2-[(2-piperazin-1-ylacetyl)amino]ethoxy]acetic acid
CID 79457584
trimethyl-[2-[[2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]ethyl]azanium
CID 11724349
N-(3-methylbutylcarbamoyl)-2-piperazin-1-ylacetamide
CID 43162386
N-[2-[methyl(propan-2-yl)amino]ethyl]-2-piperazin-1-ylacetamide
CID 62636869
2-hydroxy-4-(3-piperidin-4-ylpropanoylamino)butanoic acid
CID 114006841
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 114005249
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid (CID 107836104) is 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid is O=C(CN1CCNCC1)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The InChIKey is SMFSVWWBSBRDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-8(10(16)17)1-2-12-9(15)7-13-5-3-11-4-6-13/h8,11,14H,1-7H2,(H,12,15)(H,16,17).
What are the key properties of 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 107836104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).