2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid

C9H17N3O4 — CID 66177206

IUPAC2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-9(16,7(13)14)6-11-8(15)12-4-2-10-3-5-12/h10,16H,2-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyBUWDJCPTUZNPFX-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.56
Rot. Bonds3

About 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid

2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid (PubChem CID 66177206) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
PubChem CID66177206
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid
SMILESCC(O)(CNC(=O)N1CCNCC1)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-9(16,7(13)14)6-11-8(15)12-4-2-10-3-5-12/h10,16H,2-6H2,1H3,(H,11,15)(H,13,14)
InChIKeyBUWDJCPTUZNPFX-UHFFFAOYSA-N
XLogP-1.56
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepane-1-carbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173450
2-hydroxy-2-methyl-3-(morpholine-4-carbonylamino)propanoic acid
CID 66173250
2-hydroxy-2-methyl-3-[(1-oxo-1,4-thiazinane-4-carbonyl)amino]propanoic acid
CID 66174891
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638
3-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 106670648
N-ethylpiperazine-1-carboxamide
CID 9207783
2-hydroxy-2-methyl-3-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]propanoic acid
CID 102744953
2-hydroxy-3-[[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]-2-methylpropanoic acid
CID 107223998
3-[(4-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172435
N-[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]piperazine-1-carboxamide
CID 115171658
3-[(3-ethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66176994
N-(cyanomethyl)piperazine-1-carboxamide
CID 108864637

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid (CID 66177206) is 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid is CC(O)(CNC(=O)N1CCNCC1)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid?
The InChIKey is BUWDJCPTUZNPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-9(16,7(13)14)6-11-8(15)12-4-2-10-3-5-12/h10,16H,2-6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(piperazine-1-carbonylamino)propanoic acid is sourced from PubChem (CID 66177206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).