[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate

C22H33N3O5 — CID 10598176

IUPAC[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCCN(CC)C(=O)COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(N)CCCC1
InChIInChI=1S/C22H33N3O5/c1-4-25(5-2)19(26)15-30-20(27)18(14-16-8-10-17(29-3)11-9-16)24-21(28)22(23)12-6-7-13-22/h8-11,18H,4-7,12-15,23H2,1-3H3,(H,24,28)/t18-/m0/s1
InChIKeyFWSLGDVTMARUGF-SFHVURJKSA-N
MW419.52 g/mol
LogP1.41
Rot. Bonds10

About [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate

[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 10598176) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID10598176
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCCN(CC)C(=O)COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(N)CCCC1
InChIInChI=1S/C22H33N3O5/c1-4-25(5-2)19(26)15-30-20(27)18(14-16-8-10-17(29-3)11-9-16)24-21(28)22(23)12-6-7-13-22/h8-11,18H,4-7,12-15,23H2,1-3H3,(H,24,28)/t18-/m0/s1
InChIKeyFWSLGDVTMARUGF-SFHVURJKSA-N
XLogP1.41
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate with MolForge

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Related Compounds

butyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 10737366
[2-(diethylamino)-2-oxoethyl] (2S)-3-(4-methoxyphenyl)-2-[[1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentanecarbonyl]amino]propanoate
CID 10650023
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 10567712
methyl 2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 74316393
ethyl (2S)-3-(4-methoxyphenyl)-2-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentanecarbonyl]amino]propanoate
CID 10598956
1-amino-N-[4-(4-methoxyphenyl)butan-2-yl]cyclopentane-1-carboxamide
CID 119288107
methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate;hydrochloride
CID 73346175
prop-2-enyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 10496804
methyl 3-(4-aminophenyl)-2-[[1-[(4-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]propanoate
CID 22660165
tert-butyl (2S)-2-[(diethylcarbamoylamino)methyl]-3-[1-[[(2S)-3-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamoyl]cyclopentyl]propanoate
CID 67921527
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate (CID 10598176) is [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate is CCN(CC)C(=O)COC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(N)CCCC1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is FWSLGDVTMARUGF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-4-25(5-2)19(26)15-30-20(27)18(14-16-8-10-17(29-3)11-9-16)24-21(28)22(23)12-6-7-13-22/h8-11,18H,4-7,12-15,23H2,1-3H3,(H,24,28)/t18-/m0/s1.
What are the key properties of [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate?
[2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 419.52 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 10598176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).