(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid

C8H16NO5P — CID 141452826

IUPAC(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid
SMILESCCCP(O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H16NO5P/c1-2-5-15(14)9-6(8(12)13)3-4-7(10)11/h6,9,14H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-,15?/m0/s1
InChIKeyXIRMSEBZYQVMNB-DJMHDKPGSA-N
MW237.19 g/mol
LogP0.61
Rot. Bonds8

About (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid

(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid (PubChem CID 141452826) has the molecular formula C8H16NO5P and a molecular weight of 237.19 g/mol. Its IUPAC name is (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid
PubChem CID141452826
Molecular FormulaC8H16NO5P
Molecular Weight237.19 g/mol
Exact Mass237.08
IUPAC Name(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid
SMILESCCCP(O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H16NO5P/c1-2-5-15(14)9-6(8(12)13)3-4-7(10)11/h6,9,14H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-,15?/m0/s1
InChIKeyXIRMSEBZYQVMNB-DJMHDKPGSA-N
XLogP0.61
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid
CID 175163363
(2S)-2-[[benzyl(hydroxy)phosphanyl]amino]pentanedioic acid
CID 141452800
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-(1-fluoropropylamino)pentanedioic acid
CID 174597643
(2R)-2-acetamidopentanedioic acid
CID 161394708
(2S)-2-(hexylamino)pentanedioic acid
CID 54122466
2-(octadecylamino)pentanedioic acid
CID 18765951
(2S)-2-(hexanoylamino)pentanedioic acid
CID 54368145
(2S)-2-(bromoamino)pentanedioic acid
CID 54027690
benzene;butane;(1,3-dicarboxypropylamino)-hydroxy-oxophosphanium
CID 174407866
(2S)-2-(tetradecanoylamino)pentanedioic acid
CID 18634845
2-(dodecanoylamino)pentanedioic acid;bis(hexane)
CID 175093348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid (CID 141452826) is (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid is CCCP(O)N[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid?
The InChIKey is XIRMSEBZYQVMNB-DJMHDKPGSA-N. The full InChI is InChI=1S/C8H16NO5P/c1-2-5-15(14)9-6(8(12)13)3-4-7(10)11/h6,9,14H,2-5H2,1H3,(H,10,11)(H,12,13)/t6-,15?/m0/s1.
What are the key properties of (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid?
(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid has a molecular weight of 237.19 g/mol, XLogP of 0.61, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid is sourced from PubChem (CID 141452826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).