(3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

C15H26N2O6 — CID 22839498

IUPAC(3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SMILESCOC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC1C(C)CCC1C
InChIInChI=1S/C15H26N2O6/c1-8-4-5-9(2)13(8)23-15(21)11(7-22-3)17-14(20)10(16)6-12(18)19/h8-11,13H,4-7,16H2,1-3H3,(H,17,20)(H,18,19)/t8?,9?,10-,11+,13?/m0/s1
InChIKeySFDUOFZWCWCWOL-YMXQYDPSSA-N
MW330.38 g/mol
LogP-0.10
Rot. Bonds8

About (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

(3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid (PubChem CID 22839498) has the molecular formula C15H26N2O6 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
PubChem CID22839498
Molecular FormulaC15H26N2O6
Molecular Weight330.38 g/mol
Exact Mass330.18
IUPAC Name(3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SMILESCOC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC1C(C)CCC1C
InChIInChI=1S/C15H26N2O6/c1-8-4-5-9(2)13(8)23-15(21)11(7-22-3)17-14(20)10(16)6-12(18)19/h8-11,13H,4-7,16H2,1-3H3,(H,17,20)(H,18,19)/t8?,9?,10-,11+,13?/m0/s1
InChIKeySFDUOFZWCWCWOL-YMXQYDPSSA-N
XLogP-0.10
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 ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(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-[[(2S)-3-(1,2-dimethylcyclopentyl)oxy-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18605503
(3S)-3-amino-4-[[1-methoxy-3-(2,2,5-trimethylcyclopentyl)oxypropan-2-yl]amino]-4-oxobutanoic acid
CID 18605552
3-amino-4-[(1-cyclopentyloxy-3-methoxy-1,3-dioxopropan-2-yl)amino]-4-oxobutanoic acid
CID 54285390
(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
(2S)-2-[(2-amino-3-carboxypropanoyl)amino]butanedioic acid
CID 87433801
(3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-(1-propan-2-ylcycloheptyl)oxypropan-2-yl]amino]-4-oxobutanoic acid
CID 18605506
3-amino-4-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 64895300
3-amino-4-(1-carboxypropylamino)-4-oxobutanoic acid
CID 64895943
(3S)-3-amino-4-[[(2R)-1-methoxy-3-[2-(4-methylcyclohexyl)propylsulfanyl]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18606316
(3S)-3-amino-4-oxo-4-[[(2R)-1-oxo-1-(2,2,5-trimethylcyclopentyl)oxypropan-2-yl]amino]butanoic acid
CID 22839482

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid (CID 22839498) is (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid is COC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)OC1C(C)CCC1C.
What is the InChIKey of (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is SFDUOFZWCWCWOL-YMXQYDPSSA-N. The full InChI is InChI=1S/C15H26N2O6/c1-8-4-5-9(2)13(8)23-15(21)11(7-22-3)17-14(20)10(16)6-12(18)19/h8-11,13H,4-7,16H2,1-3H3,(H,17,20)(H,18,19)/t8?,9?,10-,11+,13?/m0/s1.
What are the key properties of (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid?
(3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 330.38 g/mol, XLogP of -0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-[[(2R)-1-(2,5-dimethylcyclopentyl)oxy-3-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 22839498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).