(3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid

C14H24N2O3 — CID 20586282

IUPAC(3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid
SMILESCCC(CC)[C@H](NC(C)=O)[C@@H]1C=C(C(=O)O)C[C@H]1N
InChIInChI=1S/C14H24N2O3/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15/h6,9,11-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12-,13+/m1/s1
InChIKeyRRSJICZPRPOEKB-UPJWGTAASA-N
MW268.36 g/mol
LogP1.29
Rot. Bonds6

About (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid

(3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid (PubChem CID 20586282) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid
PubChem CID20586282
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name(3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid
SMILESCCC(CC)[C@H](NC(C)=O)[C@@H]1C=C(C(=O)O)C[C@H]1N
InChIInChI=1S/C14H24N2O3/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15/h6,9,11-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12-,13+/m1/s1
InChIKeyRRSJICZPRPOEKB-UPJWGTAASA-N
XLogP1.29
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid?
The IUPAC name of (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid (CID 20586282) is (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid.
What is the SMILES notation for (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid?
The canonical SMILES for (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid is CCC(CC)[C@H](NC(C)=O)[C@@H]1C=C(C(=O)O)C[C@H]1N.
What is the InChIKey of (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid?
The InChIKey is RRSJICZPRPOEKB-UPJWGTAASA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15/h6,9,11-13H,4-5,7,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12-,13+/m1/s1.
What are the key properties of (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid?
(3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid has a molecular weight of 268.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-aminocyclopentene-1-carboxylic acid is sourced from PubChem (CID 20586282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).