(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid

C14H26N2O3 — CID 15954386

IUPAC(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid
SMILESCCC(CC)C(NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N
InChIInChI=1S/C14H26N2O3/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)/t10-,11-,12-,13?/m0/s1
InChIKeyAGZRFNIGMKUEHW-TXRDPFJMSA-N
MW270.37 g/mol
LogP1.37
Rot. Bonds6

About (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid

(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid (PubChem CID 15954386) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid
PubChem CID15954386
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid
SMILESCCC(CC)C(NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N
InChIInChI=1S/C14H26N2O3/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)/t10-,11-,12-,13?/m0/s1
InChIKeyAGZRFNIGMKUEHW-TXRDPFJMSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,3R,4R)-3-[(1S)-1-acetamido-2-ethyl-butyl]-4-guanidino-cyclopentanecarboxylic acid
CID 490519
(3R,4R)-3-(1-acetamidopentyl)-4-guanidino-cyclopentanecarboxylic acid
CID 506139
(1R,3R,4R)-3-[(1S)-1-acetamidopentyl]-4-guanidino-cyclopentanecarboxylic acid
CID 490516
(1S,3R,4R)-3-[(1S)-1-acetamidopentyl]-4-guanidino-cyclopentanecarboxylic acid
CID 490517
3-(Acetylamino-ethylcarbamoyl-methyl)-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278581
3-(Acetylamino-sec-butylcarbamoyl-methyl)-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278585
3-[Acetylamino-(1-ethyl-propylcarbamoyl)-methyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278586
3-[Acetylamino-(methyl-propyl-carbamoyl)-methyl]-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278595
3-(Acetylamino-diethylcarbamoyl-methyl)-4-(diaminomethyl-amino)-cyclopentanecarboxylic acid
CID 5278601
3-(1-Acetamido-2-propyl-pentyl)-4-guanidino-cyclopentanecarboxylic acid
CID 500459
(1R,3S,4S)-3-[1-acetamido-2-(diethylamino)-2-oxo-ethyl]-4-guanidino-cyclopentanecarboxylic acid
CID 5278622
(3R,4R)-3-carbamimidamido-4-[(1S)-1-acetamidopentyl]cyclopentane-1-carboxylic acid
CID 5329178

Frequently Asked Questions

What is the IUPAC name of (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid?
The IUPAC name of (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid (CID 15954386) is (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid.
What is the SMILES notation for (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid?
The canonical SMILES for (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid is CCC(CC)C(NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N.
What is the InChIKey of (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid?
The InChIKey is AGZRFNIGMKUEHW-TXRDPFJMSA-N. The full InChI is InChI=1S/C14H26N2O3/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)/t10-,11-,12-,13?/m0/s1.
What are the key properties of (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid?
(1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,4S)-3-(1-acetamido-2-ethylbutyl)-4-aminocyclopentane-1-carboxylic acid is sourced from PubChem (CID 15954386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).