(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid

C11H22N2O9P2 — CID 87501515

IUPAC(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid
SMILESC=CC(N(C(C=C)P(=O)(O)O)[C@@](O)(CCCN)C(=O)O)P(=O)(O)O
InChIInChI=1S/C11H22N2O9P2/c1-3-8(23(17,18)19)13(9(4-2)24(20,21)22)11(16,10(14)15)6-5-7-12/h3-4,8-9,16H,1-2,5-7,12H2,(H,14,15)(H2,17,18,19)(H2,20,21,22)/t8?,9?,11-/m1/s1
InChIKeyTYDCORWHPUEDMO-NWGYLPEXSA-N
MW388.25 g/mol
LogP-0.82
Rot. Bonds11

About (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid

(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid (PubChem CID 87501515) has the molecular formula C11H22N2O9P2 and a molecular weight of 388.25 g/mol. Its IUPAC name is (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid
PubChem CID87501515
Molecular FormulaC11H22N2O9P2
Molecular Weight388.25 g/mol
Exact Mass388.08
IUPAC Name(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid
SMILESC=CC(N(C(C=C)P(=O)(O)O)[C@@](O)(CCCN)C(=O)O)P(=O)(O)O
InChIInChI=1S/C11H22N2O9P2/c1-3-8(23(17,18)19)13(9(4-2)24(20,21)22)11(16,10(14)15)6-5-7-12/h3-4,8-9,16H,1-2,5-7,12H2,(H,14,15)(H2,17,18,19)(H2,20,21,22)/t8?,9?,11-/m1/s1
InChIKeyTYDCORWHPUEDMO-NWGYLPEXSA-N
XLogP-0.82
TPSA201.85 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 5-0.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxy-3-methylbutanoic acid
CID 87493639
(2S)-2-[bis(1-phosphonoprop-2-enyl)amino]-5-(diaminomethylideneamino)-2-methylpentanoic acid
CID 87494090
2-[bis(1-phosphonoprop-2-enyl)amino]-3-methylbutanoic acid
CID 87492014
6-amino-2-[bis(2-phosphonobut-3-enyl)amino]hexanoic acid
CID 87492563
(2S)-5-amino-2-[bis(phosphonomethyl)amino]-2-methylpentanoic acid
CID 87462586
2-[bis(1-phosphonoprop-2-enyl)amino]propanoic acid
CID 87495989
5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-5-oxopentanoic acid
CID 87490662
6-amino-2-(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87476730
(2S)-5-amino-2-(2-phosphonobut-3-enylamino)pentanoic acid
CID 87496174
5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid
CID 87477675
(2S)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanedioic acid
CID 87475629
6-amino-2-(2-phosphonobut-3-enylamino)hexanoic acid
CID 87479009

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid?
The IUPAC name of (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid (CID 87501515) is (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid is C=CC(N(C(C=C)P(=O)(O)O)[C@@](O)(CCCN)C(=O)O)P(=O)(O)O.
What is the InChIKey of (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid?
The InChIKey is TYDCORWHPUEDMO-NWGYLPEXSA-N. The full InChI is InChI=1S/C11H22N2O9P2/c1-3-8(23(17,18)19)13(9(4-2)24(20,21)22)11(16,10(14)15)6-5-7-12/h3-4,8-9,16H,1-2,5-7,12H2,(H,14,15)(H2,17,18,19)(H2,20,21,22)/t8?,9?,11-/m1/s1.
What are the key properties of (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid?
(2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid has a molecular weight of 388.25 g/mol, XLogP of -0.82, 11 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-2-hydroxypentanoic acid is sourced from PubChem (CID 87501515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).