5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid

C11H23N2O2P — CID 91314997

IUPAC5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid
SMILESCCC(CCC/N=C(\N)C(P)CC)C(=O)O
InChIInChI=1S/C11H23N2O2P/c1-3-8(11(14)15)6-5-7-13-10(12)9(16)4-2/h8-9H,3-7,16H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyDJSBFPLCXBHMRU-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.89
Rot. Bonds8

About 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid

5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid (PubChem CID 91314997) has the molecular formula C11H23N2O2P and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid.

Molecular Properties

Compound Name5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid
PubChem CID91314997
Molecular FormulaC11H23N2O2P
Molecular Weight246.29 g/mol
Exact Mass246.15
IUPAC Name5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid
SMILESCCC(CCC/N=C(\N)C(P)CC)C(=O)O
InChIInChI=1S/C11H23N2O2P/c1-3-8(11(14)15)6-5-7-13-10(12)9(16)4-2/h8-9H,3-7,16H2,1-2H3,(H2,12,13)(H,14,15)
InChIKeyDJSBFPLCXBHMRU-UHFFFAOYSA-N
XLogP1.89
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminoethylideneamino)-2-ethylbutanoic acid
CID 145476520
2-ethylhexanoic acid;palladium(2+)
CID 18629949
cobalt;bis(2-ethylhexanoic acid)
CID 85390748
2-ethylhexanoic acid;niobium
CID 87060397
tetrakis(2-ethylhexanoic acid);hafnium
CID 140535448
copper 2-ethylhexanoic acid
CID 54604905
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
6-amino-2-ethylhexanoic acid;azane
CID 88821488
2-ethyloctanoic acid;hexakis(hexane)
CID 173225823
2-ethyl-6-propylheptanedioic acid
CID 154140899
5-chloro-2-ethylpentanoic acid
CID 55301111

Frequently Asked Questions

What is the IUPAC name of 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid?
The IUPAC name of 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid (CID 91314997) is 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid.
What is the SMILES notation for 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid?
The canonical SMILES for 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid is CCC(CCC/N=C(\N)C(P)CC)C(=O)O.
What is the InChIKey of 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid?
The InChIKey is DJSBFPLCXBHMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N2O2P/c1-3-8(11(14)15)6-5-7-13-10(12)9(16)4-2/h8-9H,3-7,16H2,1-2H3,(H2,12,13)(H,14,15).
What are the key properties of 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid?
5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid has a molecular weight of 246.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-amino-2-phosphanylbutylidene)amino]-2-ethylpentanoic acid is sourced from PubChem (CID 91314997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).