3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride

C14H27ClN2O3 — CID 70030931

IUPAC3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride
SMILESCCC(CC)C(NC(C)=O)C1CC(C(=O)O)CC1N.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15;/h9-13H,4-7,15H2,1-3H3,(H,16,17)(H,18,19);1H
InChIKeyOKQUVWSSKLQURD-UHFFFAOYSA-N
MW306.83 g/mol
LogP1.79
Rot. Bonds6

About 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride

3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride (PubChem CID 70030931) has the molecular formula C14H27ClN2O3 and a molecular weight of 306.83 g/mol. Its IUPAC name is 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride
PubChem CID70030931
Molecular FormulaC14H27ClN2O3
Molecular Weight306.83 g/mol
Exact Mass306.17
IUPAC Name3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride
SMILESCCC(CC)C(NC(C)=O)C1CC(C(=O)O)CC1N.Cl
InChIInChI=1S/C14H26N2O3.ClH/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15;/h9-13H,4-7,15H2,1-3H3,(H,16,17)(H,18,19);1H
InChIKeyOKQUVWSSKLQURD-UHFFFAOYSA-N
XLogP1.79
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.83
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5S)-4-[(1S)-1-acetamido-2-ethylbutyl]-5-aminocyclohexene-1-carboxylic acid
CID 141315790
2-[3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentyl]acetic acid
CID 123254355
(1S,2S,3R)-3-[(1R)-1-acetamido-2-ethylbutyl]-2-(2-methylpropanoylamino)cyclopentane-1-carboxylic acid
CID 170419867
trans-(3R,4S)-3-[1-acetamido-2-(butan-2-ylamino)-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 5278585
methyl 3-(1-acetamido-2-ethylbutyl)-2-hydroxycyclopentane-1-carboxylate
CID 123520214
ethyl (1S,2S,3R,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-amino-2-hydroxycyclopentane-1-carboxylate
CID 20586261
(1R,3R,4R)-3-[(1S)-1-acetamidopentyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 15956568
(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;trihydrate
CID 11954371
cis-(3S,4S)-3-[1-acetamido-2-[ethyl(propyl)amino]-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 22084198

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride (CID 70030931) is 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride is CCC(CC)C(NC(C)=O)C1CC(C(=O)O)CC1N.Cl.
What is the InChIKey of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride?
The InChIKey is OKQUVWSSKLQURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3.ClH/c1-4-9(5-2)13(16-8(3)17)11-6-10(14(18)19)7-12(11)15;/h9-13H,4-7,15H2,1-3H3,(H,16,17)(H,18,19);1H.
What are the key properties of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride?
3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride has a molecular weight of 306.83 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70030931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).