2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid

C9H17N3O4 — CID 66167593

IUPAC2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESO=C(CN1CCNCC1)NCC(O)C(=O)O
InChIInChI=1S/C9H17N3O4/c13-7(9(15)16)5-11-8(14)6-12-3-1-10-2-4-12/h7,10,13H,1-6H2,(H,11,14)(H,15,16)
InChIKeyJOZKBCVEHWWSHD-UHFFFAOYSA-N
MW231.25 g/mol
LogP-2.55
Rot. Bonds5

About 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid

2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid (PubChem CID 66167593) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
PubChem CID66167593
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
SMILESO=C(CN1CCNCC1)NCC(O)C(=O)O
InChIInChI=1S/C9H17N3O4/c13-7(9(15)16)5-11-8(14)6-12-3-1-10-2-4-12/h7,10,13H,1-6H2,(H,11,14)(H,15,16)
InChIKeyJOZKBCVEHWWSHD-UHFFFAOYSA-N
XLogP-2.55
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-2.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]-2-methylpropanoic acid
CID 62833118
N-(2-methoxypropyl)-2-piperazin-1-ylacetamide;dihydrochloride
CID 69457989
4-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81073099
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
2-(1,4-diazepan-1-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 62839766
2-(1,4-diazepan-1-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65035920
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
7-[(2-piperazin-1-ylacetyl)amino]heptanoic acid
CID 61158723

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid (CID 66167593) is 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid is O=C(CN1CCNCC1)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
The InChIKey is JOZKBCVEHWWSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c13-7(9(15)16)5-11-8(14)6-12-3-1-10-2-4-12/h7,10,13H,1-6H2,(H,11,14)(H,15,16).
What are the key properties of 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid?
2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -2.55, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 66167593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).