(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid

C10H19NO9P2 — CID 173092232

IUPAC(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid
SMILESC[C@](CO)(C(=O)O)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O
InChIInChI=1S/C10H19NO9P2/c1-10(8-12,9(13)14)11(4-2-6-21(15,16)17)5-3-7-22(18,19)20/h2-3,6-7,12H,4-5,8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1
InChIKeyDZQZEDQOBHDTRM-JTQLQIEISA-N
MW359.21 g/mol
LogP-0.49
Rot. Bonds9

About (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid

(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid (PubChem CID 173092232) has the molecular formula C10H19NO9P2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid
PubChem CID173092232
Molecular FormulaC10H19NO9P2
Molecular Weight359.21 g/mol
Exact Mass359.05
IUPAC Name(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid
SMILESC[C@](CO)(C(=O)O)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O
InChIInChI=1S/C10H19NO9P2/c1-10(8-12,9(13)14)11(4-2-6-21(15,16)17)5-3-7-22(18,19)20/h2-3,6-7,12H,4-5,8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1
InChIKeyDZQZEDQOBHDTRM-JTQLQIEISA-N
XLogP-0.49
TPSA175.83 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 173092560
(2S)-2-[hydroxy(3-phosphonoprop-2-enyl)amino]-3-methylbutanoic acid
CID 173088646
(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid
CID 173088955
4-[3-carboxyprop-2-enyl(1,1-diphosphonoethyl)amino]but-2-enoic acid
CID 173421846
(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid
CID 173092377
CID 175912914
CID 175912914
(2S)-5-amino-2-[bis(phosphonomethyl)amino]-2-methylpentanoic acid
CID 87462586
pent-1-enylphosphonic acid
CID 54140925
3-chloroprop-1-enylphosphonic acid
CID 54206738
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
(2R)-2-methyl-2-[methyl(phosphonomethyl)amino]-3-sulfanylpropanoic acid
CID 25153758
2-[bis(2-carboxybutan-2-yl)amino]-2-methylbutanoic acid
CID 88755093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid (CID 173092232) is (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid is C[C@](CO)(C(=O)O)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O.
What is the InChIKey of (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid?
The InChIKey is DZQZEDQOBHDTRM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19NO9P2/c1-10(8-12,9(13)14)11(4-2-6-21(15,16)17)5-3-7-22(18,19)20/h2-3,6-7,12H,4-5,8H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid?
(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid has a molecular weight of 359.21 g/mol, XLogP of -0.49, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 173092232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).