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

C11H21NO8P2 — CID 173092377

IUPAC(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid
SMILESCCC[C@@H](C(=O)O)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O
InChIInChI=1S/C11H21NO8P2/c1-2-5-10(11(13)14)12(6-3-8-21(15,16)17)7-4-9-22(18,19)20/h3-4,8-10H,2,5-7H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1
InChIKeyACPQIQXZGFIZFV-JTQLQIEISA-N
MW357.24 g/mol
LogP0.92
Rot. Bonds10

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

(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid (PubChem CID 173092377) has the molecular formula C11H21NO8P2 and a molecular weight of 357.24 g/mol. Its IUPAC name is (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid
PubChem CID173092377
Molecular FormulaC11H21NO8P2
Molecular Weight357.24 g/mol
Exact Mass357.07
IUPAC Name(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid
SMILESCCC[C@@H](C(=O)O)N(CC=CP(=O)(O)O)CC=CP(=O)(O)O
InChIInChI=1S/C11H21NO8P2/c1-2-5-10(11(13)14)12(6-3-8-21(15,16)17)7-4-9-22(18,19)20/h3-4,8-10H,2,5-7H2,1H3,(H,13,14)(H2,15,16,17)(H2,18,19,20)/t10-/m0/s1
InChIKeyACPQIQXZGFIZFV-JTQLQIEISA-N
XLogP0.92
TPSA155.60 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 50.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-hydroxy-2-[methyl(3-phosphonoprop-2-enyl)amino]propanoic acid
CID 173088955
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2-[bis(2-amino-2-oxoethyl)amino]pentanoic acid
CID 83041188
(2S)-2-[hydroxy(3-phosphonoprop-2-enyl)amino]-3-methylbutanoic acid
CID 173088646
2-(didecylamino)pentanoic acid
CID 101314079
2-[di(tridecyl)amino]pentanoic acid
CID 101314139
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pentanoic acid
CID 107480763
2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[2-carboxypropyl(2-methylpropyl)amino]pentanoic acid
CID 82329020
2-[cyclopropylmethyl(ethyl)amino]pentanoic acid
CID 83040578
(E)-2-propylhex-3-enoic acid
CID 156873563
2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pentanoic acid
CID 83041705

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid (CID 173092377) is (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid is CCC[C@@H](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]pentanoic acid?
The InChIKey is ACPQIQXZGFIZFV-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO8P2/c1-2-5-10(11(13)14)12(6-3-8-21(15,16)17)7-4-9-22(18,19)20/h3-4,8-10H,2,5-7H2,1H3,(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]pentanoic acid?
(2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid has a molecular weight of 357.24 g/mol, XLogP of 0.92, 10 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(3-phosphonoprop-2-enyl)amino]pentanoic acid is sourced from PubChem (CID 173092377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).