(3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid

C18H34N2O3 — CID 70448959

IUPAC(3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid
SMILESCCC1CCC(CC)C1CCC(C)(C)NC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C18H34N2O3/c1-5-12-7-8-13(6-2)14(12)9-10-18(3,4)20-17(23)15(19)11-16(21)22/h12-15H,5-11,19H2,1-4H3,(H,20,23)(H,21,22)/t12?,13?,14?,15-/m0/s1
InChIKeyZGMAPXUXQXVMAA-BOADVZGGSA-N
MW326.48 g/mol
LogP2.93
Rot. Bonds9

About (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid

(3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 70448959) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid
PubChem CID70448959
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Name(3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid
SMILESCCC1CCC(CC)C1CCC(C)(C)NC(=O)[C@@H](N)CC(=O)O
InChIInChI=1S/C18H34N2O3/c1-5-12-7-8-13(6-2)14(12)9-10-18(3,4)20-17(23)15(19)11-16(21)22/h12-15H,5-11,19H2,1-4H3,(H,20,23)(H,21,22)/t12?,13?,14?,15-/m0/s1
InChIKeyZGMAPXUXQXVMAA-BOADVZGGSA-N
XLogP2.93
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(3S)-3-amino-4-[[2-methyl-4-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)butan-2-yl]amino]-4-oxobutanoic acid
CID 18603753
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
2-amino-N-(2-methylbutan-2-yl)butanediamide
CID 60849148
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
3-amino-4-[2-(4-bromophenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896073
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
2-cyclopropyl-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoic acid
CID 61162344
3-amino-4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoic acid
CID 79400915
(3S)-3-amino-4-[[(2S)-1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73347171
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
(3S)-3-amino-4-[[4-(2-tert-butylcyclopentyl)-1-methoxy-1-oxobut-2-en-2-yl]amino]-4-oxobutanoic acid
CID 54123717
2-amino-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 115734086

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid (CID 70448959) is (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid is CCC1CCC(CC)C1CCC(C)(C)NC(=O)[C@@H](N)CC(=O)O.
What is the InChIKey of (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is ZGMAPXUXQXVMAA-BOADVZGGSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-5-12-7-8-13(6-2)14(12)9-10-18(3,4)20-17(23)15(19)11-16(21)22/h12-15H,5-11,19H2,1-4H3,(H,20,23)(H,21,22)/t12?,13?,14?,15-/m0/s1.
What are the key properties of (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid?
(3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 326.48 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[[4-(2,5-diethylcyclopentyl)-2-methylbutan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 70448959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).