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

C14H25ClN2O3 — CID 70029419

IUPAC3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
SMILESCCC(CC)C(NC(C)=O)C1C=C(C(=O)O)CC1N.Cl
InChIInChI=1S/C14H24N2O3.ClH/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);1H
InChIKeyHDPIQNUHAKQRDU-UHFFFAOYSA-N
MW304.82 g/mol
LogP1.71
Rot. Bonds6

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

3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride (PubChem CID 70029419) has the molecular formula C14H25ClN2O3 and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
PubChem CID70029419
Molecular FormulaC14H25ClN2O3
Molecular Weight304.82 g/mol
Exact Mass304.16
IUPAC Name3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride
SMILESCCC(CC)C(NC(C)=O)C1C=C(C(=O)O)CC1N.Cl
InChIInChI=1S/C14H24N2O3.ClH/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);1H
InChIKeyHDPIQNUHAKQRDU-UHFFFAOYSA-N
XLogP1.71
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S,5S)-4-acetamido-5-amino-3-butyl-cyclohexene-1-carboxylic acid
CID 505928
(3R,4R)-3-(1-acetamido-2-ethyl-butyl)-4-guanidino-cyclopentene-1-carboxylic acid
CID 9904782
3-(1-Acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 70027626
Peramivir Impurity 29 TFA salt
CID 176482401
(3R,4R)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid
CID 9795382
(3R,4R)-3-[(1R,2S)-1-acetamido-2-methoxy-2-methylpentyl]-4-aminocyclopentene-1-carboxylic acid
CID 9839239
methyl (3R,4R)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylate
CID 9860563
3-(1-Acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid
CID 18538087
3-(1-Acetamido-2-methoxy-2-methylpentyl)-4-aminocyclopentene-1-carboxylic acid
CID 18669542
(3R,4R)-3-((S)-1-acetamido-2-ethylbutyl)-4-aminocyclopent-1-enecarboxylic acid
CID 20586282
(3S,4R)-3-[(1S)-1-acetamido-2-ethylbutyl]-4-(hydrazinylmethylideneamino)cyclopentene-1-carboxylic acid
CID 20586283
Peramivir Impurity 133
CID 20586285

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride?
The IUPAC name of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride (CID 70029419) is 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride is CCC(CC)C(NC(C)=O)C1C=C(C(=O)O)CC1N.Cl.
What is the InChIKey of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride?
The InChIKey is HDPIQNUHAKQRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.ClH/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);1H.
What are the key properties of 3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride?
3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentene-1-carboxylic acid;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 1.71, 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-aminocyclopentene-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 70029419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).