3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

C15H26N2O6 — CID 70460488

IUPAC3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
SMILESCOC(=O)[C@@H](NC(=O)C(N)CC(=O)O)[C@@H](C)OC1(C)CCCC1
InChIInChI=1S/C15H26N2O6/c1-9(23-15(2)6-4-5-7-15)12(14(21)22-3)17-13(20)10(16)8-11(18)19/h9-10,12H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)/t9-,10?,12+/m1/s1
InChIKeyQPNYWDJCJWRDHV-MAZPRZIYSA-N
MW330.38 g/mol
LogP0.18
Rot. Bonds8

About 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 70460488) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
PubChem CID70460488
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
SMILESCOC(=O)[C@@H](NC(=O)C(N)CC(=O)O)[C@@H](C)OC1(C)CCCC1
InChIInChI=1S/C15H26N2O6/c1-9(23-15(2)6-4-5-7-15)12(14(21)22-3)17-13(20)10(16)8-11(18)19/h9-10,12H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)/t9-,10?,12+/m1/s1
InChIKeyQPNYWDJCJWRDHV-MAZPRZIYSA-N
XLogP0.18
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(3S)-3-amino-4-[[(2S)-1-[(1-methoxycarbonylcyclohexyl)amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 73348682
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(1-propan-2-ylcycloheptyl)oxypropan-2-yl]amino]-4-oxobutanoic acid
CID 18605506
(3S)-3-amino-4-[[(2R)-3-(1,2-dimethylcyclohexyl)sulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18606347
3-amino-4-[[(2R)-3-[(1S,2S)-1,2-dimethylcyclohexyl]sulfanyl-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 70446066
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(1,2,7-trimethylcycloheptyl)oxypropan-2-yl]amino]-4-oxobutanoic acid
CID 18605500
(3S)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-(2,2,5,5-tetramethylcyclopentyl)sulfanylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18606310
methyl (2S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoate
CID 43707626
3-methyl-4-(1-methylcyclopentyl)oxy-4-oxobutanoic acid
CID 155669879
(3S)-3-amino-4-[[(2S)-3-(1,2-dimethylcyclopentyl)oxy-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18605503
3-amino-4-(1-carboxypropan-2-ylamino)-4-oxobutanoic acid
CID 64895941
4-amino-5-[[1-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 137497726

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid (CID 70460488) is 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid is COC(=O)[C@@H](NC(=O)C(N)CC(=O)O)[C@@H](C)OC1(C)CCCC1.
What is the InChIKey of 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is QPNYWDJCJWRDHV-MAZPRZIYSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-9(23-15(2)6-4-5-7-15)12(14(21)22-3)17-13(20)10(16)8-11(18)19/h9-10,12H,4-8,16H2,1-3H3,(H,17,20)(H,18,19)/t9-,10?,12+/m1/s1.
What are the key properties of 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid?
3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 330.38 g/mol, XLogP of 0.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[(2S,3R)-1-methoxy-3-(1-methylcyclopentyl)oxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 70460488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).