2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid

C7H14NO5P — CID 175163363

IUPAC2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid
SMILESCCP(O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H14NO5P/c1-2-14(13)8-5(7(11)12)3-4-6(9)10/h5,8,13H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyBNJJOTOGYCWHHA-UHFFFAOYSA-N
MW223.16 g/mol
LogP0.22
Rot. Bonds7

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

2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid (PubChem CID 175163363) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid
PubChem CID175163363
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid
SMILESCCP(O)NC(CCC(=O)O)C(=O)O
InChIInChI=1S/C7H14NO5P/c1-2-14(13)8-5(7(11)12)3-4-6(9)10/h5,8,13H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyBNJJOTOGYCWHHA-UHFFFAOYSA-N
XLogP0.22
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[hydroxy(propyl)phosphanyl]amino]pentanedioic acid
CID 141452826
(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-(bromoamino)pentanedioic acid
CID 54027690
benzene;butane;(1,3-dicarboxypropylamino)-hydroxy-oxophosphanium
CID 174407866
(2S)-2-(heptadecan-2-ylamino)pentanedioic acid
CID 121284331
2-(1,1-dihydroxyethylamino)pentanedioic acid
CID 87961952
(2S)-2-(prop-1-en-2-ylamino)pentanedioic acid
CID 89274220
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
calcium;hydride;2-methylpentanedioic acid
CID 173414295

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid?
The IUPAC name of 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid (CID 175163363) is 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid is CCP(O)NC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid?
The InChIKey is BNJJOTOGYCWHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO5P/c1-2-14(13)8-5(7(11)12)3-4-6(9)10/h5,8,13H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid?
2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid has a molecular weight of 223.16 g/mol, XLogP of 0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(hydroxy)phosphanyl]amino]pentanedioic acid is sourced from PubChem (CID 175163363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).