(Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid

C11H19O4P — CID 15735605

IUPAC(Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid
SMILESCC(C)CP(=O)(O)C/C(=C\C1CC1)C(=O)O
InChIInChI=1S/C11H19O4P/c1-8(2)6-16(14,15)7-10(11(12)13)5-9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3,(H,12,13)(H,14,15)/b10-5+
InChIKeyVUYKERJPFDXZPR-BJMVGYQFSA-N
MW246.24 g/mol
LogP2.33
Rot. Bonds6

About (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid

(Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid (PubChem CID 15735605) has the molecular formula C11H19O4P and a molecular weight of 246.24 g/mol. Its IUPAC name is (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid
PubChem CID15735605
Molecular FormulaC11H19O4P
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name(Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid
SMILESCC(C)CP(=O)(O)C/C(=C\C1CC1)C(=O)O
InChIInChI=1S/C11H19O4P/c1-8(2)6-16(14,15)7-10(11(12)13)5-9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3,(H,12,13)(H,14,15)/b10-5+
InChIKeyVUYKERJPFDXZPR-BJMVGYQFSA-N
XLogP2.33
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[[cyclohexylmethyl(hydroxy)phosphoryl]methyl]-3-cyclopropylprop-2-enoic acid
CID 15735579
(Z)-3-cyclohexyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid
CID 15735595
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]but-2-enoic acid
CID 15735596
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]oct-2-enoic acid
CID 15735597
(E)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]oct-2-enoic acid
CID 15735598
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4,4-dimethylpent-2-enoic acid
CID 15735601
(E)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4,4-dimethylpent-2-enoic acid
CID 15735602
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-4-methylpent-2-enoic acid
CID 15735603
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]-5-methylhex-2-enoic acid
CID 15735604
(Z)-6-chloro-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]hex-2-enoic acid
CID 15735607
(Z)-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]hept-2-enedioic acid
CID 15735609
(Z)-3-cyclopropyl-2-[[(2,2-dimethylcyclopropyl)-hydroxyphosphoryl]methyl]prop-2-enoic acid
CID 15735610

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid (CID 15735605) is (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid is CC(C)CP(=O)(O)C/C(=C\C1CC1)C(=O)O.
What is the InChIKey of (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid?
The InChIKey is VUYKERJPFDXZPR-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H19O4P/c1-8(2)6-16(14,15)7-10(11(12)13)5-9-3-4-9/h5,8-9H,3-4,6-7H2,1-2H3,(H,12,13)(H,14,15)/b10-5+.
What are the key properties of (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid?
(Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid has a molecular weight of 246.24 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopropyl-2-[[hydroxy(2-methylpropyl)phosphoryl]methyl]prop-2-enoic acid is sourced from PubChem (CID 15735605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).