2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid

C15H27NO4 — CID 123254355

IUPAC2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid
SMILESCCC(CC)C(NC(C)=O)C1CCC(CC(=O)O)C1O
InChIInChI=1S/C15H27NO4/c1-4-10(5-2)14(16-9(3)17)12-7-6-11(15(12)20)8-13(18)19/h10-12,14-15,20H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPHQIPBKIJCDNOX-UHFFFAOYSA-N
MW285.38 g/mol
LogP1.79
Rot. Bonds7

About 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid

2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid (PubChem CID 123254355) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid
PubChem CID123254355
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid
SMILESCCC(CC)C(NC(C)=O)C1CCC(CC(=O)O)C1O
InChIInChI=1S/C15H27NO4/c1-4-10(5-2)14(16-9(3)17)12-7-6-11(15(12)20)8-13(18)19/h10-12,14-15,20H,4-8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPHQIPBKIJCDNOX-UHFFFAOYSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate
CID 123520214
3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 70030931
(1S,2S,3R)-3-[(1R)-1-acetamido-2-ethylbutyl]-2-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid
CID 170419867
(4S,5S)-4-[(1S)-1-acetamido-2-ethylbutyl]-5-aminocyclohexene-1-carboxylic acid
CID 141315790
ethyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-amino-2-hydroxycyclopentane-1-carboxylate
CID 20586261
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
2-[(1S,2S)-2-acetamidocyclobutyl]acetic acid
CID 178194580
(1R,2R,3R,4S)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 15954391
cis-(3S,4R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 56603762
(3R)-3-(1-acetamido-2-ethylbutyl)-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid
CID 129317861
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;2-aminoacetic acid
CID 24875852
(1S,2S,3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(diaminomethylideneamino)-2-hydroxycyclopentane-1-carboxylic acid;trihydrate
CID 11954371

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid?
The IUPAC name of 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid (CID 123254355) is 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid is CCC(CC)C(NC(C)=O)C1CCC(CC(=O)O)C1O.
What is the InChIKey of 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid?
The InChIKey is PHQIPBKIJCDNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-10(5-2)14(16-9(3)17)12-7-6-11(15(12)20)8-13(18)19/h10-12,14-15,20H,4-8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid?
2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid has a molecular weight of 285.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid is sourced from PubChem (CID 123254355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).