2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid

C9H20N4O4 — CID 69404702

IUPAC2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid
SMILESNCC(N)C(=O)O.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.C3H8N2O2/c9-6(10)5-8-3-1-7-2-4-8;4-1-2(5)3(6)7/h7H,1-5H2,(H,9,10);2H,1,4-5H2,(H,6,7)
InChIKeyUZNDAYQEOVCASP-UHFFFAOYSA-N
MW248.28 g/mol
LogP-2.67
Rot. Bonds4

About 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid

2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid (PubChem CID 69404702) has the molecular formula C9H20N4O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid.

Molecular Properties

Compound Name2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid
PubChem CID69404702
Molecular FormulaC9H20N4O4
Molecular Weight248.28 g/mol
Exact Mass248.15
IUPAC Name2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid
SMILESNCC(N)C(=O)O.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.C3H8N2O2/c9-6(10)5-8-3-1-7-2-4-8;4-1-2(5)3(6)7/h7H,1-5H2,(H,9,10);2H,1,4-5H2,(H,6,7)
InChIKeyUZNDAYQEOVCASP-UHFFFAOYSA-N
XLogP-2.67
TPSA141.91 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
2-piperazin-1-ylacetic acid;dihydrochloride
CID 53433190
ethane;2-piperazin-1-ylacetic acid
CID 143723779
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-[4-(carboxymethyl)-7-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166881958
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-[8-(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 170568662
2,3-diaminopropanoic acid
CID 160927094
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
(2S)-2-amino-6-[4-(carboxymethyl)piperazin-1-yl]-6-oxohexanoic acid
CID 169025152
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873

Frequently Asked Questions

What is the IUPAC name of 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid?
The IUPAC name of 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid (CID 69404702) is 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid.
What is the SMILES notation for 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid?
The canonical SMILES for 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid is NCC(N)C(=O)O.O=C(O)CN1CCNCC1.
What is the InChIKey of 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid?
The InChIKey is UZNDAYQEOVCASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C3H8N2O2/c9-6(10)5-8-3-1-7-2-4-8;4-1-2(5)3(6)7/h7H,1-5H2,(H,9,10);2H,1,4-5H2,(H,6,7).
What are the key properties of 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid?
2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid has a molecular weight of 248.28 g/mol, XLogP of -2.67, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid is sourced from PubChem (CID 69404702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).