(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid

C8H17N2O5P — CID 70885147

IUPAC(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(CCCOP(O)O)CCN1
InChIInChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-15-16(13)14/h7,9,13-14H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyZTTMUWJUUAGWKV-SSDOTTSWSA-N
MW252.21 g/mol
LogP-1.04
Rot. Bonds6

About (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid

(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid (PubChem CID 70885147) has the molecular formula C8H17N2O5P and a molecular weight of 252.21 g/mol. Its IUPAC name is (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid
PubChem CID70885147
Molecular FormulaC8H17N2O5P
Molecular Weight252.21 g/mol
Exact Mass252.09
IUPAC Name(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(CCCOP(O)O)CCN1
InChIInChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-15-16(13)14/h7,9,13-14H,1-6H2,(H,11,12)/t7-/m1/s1
InChIKeyZTTMUWJUUAGWKV-SSDOTTSWSA-N
XLogP-1.04
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 5-1.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[3-[hydroxy(methyl)phosphoryl]propyl]piperazine-2-carboxylic acid
CID 14751359
4-(3-phosphonopropyl)piperazine-2-carboxylic acid;hydrochloride
CID 139889844
(2R)-4-(2-methylsulfanylethyl)piperazine-2-carboxylic acid
CID 170266617
4-(2-phosphonoethyl)piperazine-2-carboxylic acid
CID 13491860
(2S)-4-[[2-(3-morpholin-4-ylpropoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 95539392
4-[2-(2H-tetrazol-5-yl)ethyl]piperazine-2-carboxylic acid
CID 14877967
tert-butyl 4-pentylpiperazine-2-carboxylate
CID 175344444
(2R)-4-[(4-chlorophenyl)methyl]piperazine-2-carboxylic acid
CID 95731948
(3S)-piperazine-1,3-dicarboxylic acid
CID 68637111
1-[4-(3-methylbutyl)piperazin-2-yl]propan-1-one
CID 123677366
4-[3-[4-[2-amino-3-(2,4-difluorobenzoyl)-6-oxo-1-pyridinyl]-3,5-difluorophenoxy]propyl]piperazine-2-carboxylic acid
CID 91213123
4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
CID 14230271

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid?
The IUPAC name of (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid (CID 70885147) is (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid?
The canonical SMILES for (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid is O=C(O)[C@H]1CN(CCCOP(O)O)CCN1.
What is the InChIKey of (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid?
The InChIKey is ZTTMUWJUUAGWKV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-15-16(13)14/h7,9,13-14H,1-6H2,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid?
(2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid has a molecular weight of 252.21 g/mol, XLogP of -1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-dihydroxyphosphanyloxypropyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 70885147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).