(4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid

C14H23NO4 — CID 143878664

IUPAC(4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid
SMILESC=CCOC(CC=C)C[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C14H23NO4/c1-5-7-12(18-8-6-2)9-11-10-19-14(3,4)15(11)13(16)17/h5-6,11-12H,1-2,7-10H2,3-4H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyZBEPOVKYHDYSFM-PXYINDEMSA-N
MW269.34 g/mol
LogP2.64
Rot. Bonds7

About (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid

(4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid (PubChem CID 143878664) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid
PubChem CID143878664
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid
SMILESC=CCOC(CC=C)C[C@H]1COC(C)(C)N1C(=O)O
InChIInChI=1S/C14H23NO4/c1-5-7-12(18-8-6-2)9-11-10-19-14(3,4)15(11)13(16)17/h5-6,11-12H,1-2,7-10H2,3-4H3,(H,16,17)/t11-,12?/m0/s1
InChIKeyZBEPOVKYHDYSFM-PXYINDEMSA-N
XLogP2.64
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid (CID 143878664) is (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid is C=CCOC(CC=C)C[C@H]1COC(C)(C)N1C(=O)O.
What is the InChIKey of (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is ZBEPOVKYHDYSFM-PXYINDEMSA-N. The full InChI is InChI=1S/C14H23NO4/c1-5-7-12(18-8-6-2)9-11-10-19-14(3,4)15(11)13(16)17/h5-6,11-12H,1-2,7-10H2,3-4H3,(H,16,17)/t11-,12?/m0/s1.
What are the key properties of (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid?
(4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-(2-prop-2-enoxypent-4-enyl)-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 143878664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).