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

C10H19N3O4 — CID 114005249

IUPAC(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
SMILESO=C(CN1CCNCC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H19N3O4/c14-6-1-8(10(16)17)12-9(15)7-13-4-2-11-3-5-13/h8,11,14H,1-7H2,(H,12,15)(H,16,17)/t8-/m1/s1
InChIKeyARHIMIQKBTYOKN-MRVPVSSYSA-N
MW245.28 g/mol
LogP-2.16
Rot. Bonds6

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

(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid (PubChem CID 114005249) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
PubChem CID114005249
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid
SMILESO=C(CN1CCNCC1)N[C@H](CCO)C(=O)O
InChIInChI=1S/C10H19N3O4/c14-6-1-8(10(16)17)12-9(15)7-13-4-2-11-3-5-13/h8,11,14H,1-7H2,(H,12,15)(H,16,17)/t8-/m1/s1
InChIKeyARHIMIQKBTYOKN-MRVPVSSYSA-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

(2R)-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 103869909
(2R)-4-methyl-2-[(2-piperazin-1-ylacetyl)amino]pentanoic acid
CID 78975617
2-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 61157899
4-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408281
2-hydroxy-4-[(2-piperazin-1-ylacetyl)amino]butanoic acid
CID 107836104
N-iodo-2-piperazin-1-ylacetamide
CID 171526171
2-hydroxy-3-[(2-piperazin-1-ylacetyl)amino]propanoic acid
CID 66167593
(2S)-2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 62838893
2-[4-[2-[(1-carboxy-2-hydroxyethyl)amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;indium(3+)
CID 24800406
N-methyl-2-[(2-piperazin-1-ylacetyl)amino]propanamide
CID 61467729
(2S)-4-hydroxy-2-[(2-sulfanylacetyl)amino]butanoic acid
CID 91260947
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid (CID 114005249) is (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid is O=C(CN1CCNCC1)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
The InChIKey is ARHIMIQKBTYOKN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19N3O4/c14-6-1-8(10(16)17)12-9(15)7-13-4-2-11-3-5-13/h8,11,14H,1-7H2,(H,12,15)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid?
(2R)-4-hydroxy-2-[(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 (2R)-4-hydroxy-2-[(2-piperazin-1-ylacetyl)amino]butanoic acid is sourced from PubChem (CID 114005249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).