(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid

C10H17NO6 — CID 135735782

IUPAC(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid
SMILESCOC(=O)C(C)C[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-5(10(16)17-2)3-6(8(12)13)4-7(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)/t5?,6-,7+/m1/s1
InChIKeyDROJCALKZUUUKJ-FWPZAIACSA-N
MW247.25 g/mol
LogP-0.31
Rot. Bonds7

About (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid

(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid (PubChem CID 135735782) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid
PubChem CID135735782
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid
SMILESCOC(=O)C(C)C[C@H](C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C10H17NO6/c1-5(10(16)17-2)3-6(8(12)13)4-7(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)/t5?,6-,7+/m1/s1
InChIKeyDROJCALKZUUUKJ-FWPZAIACSA-N
XLogP-0.31
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
2-amino-4-methoxypentanoic acid
CID 21255646
2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
dimethyl (2R,4S)-2-(isocyanomethyl)-4-methylpentanedioate
CID 59879625
(2S)-2-amino-4-methylpentanoic acid;methyl 2-hydroxybutanoate
CID 131724020
(2R)-2,5-diamino-4-methyl-5-oxopentanoic acid
CID 87695522
2-amino-4,4-dimethoxybutanoic acid
CID 20649849
CID 58391087
CID 58391087

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid?
The IUPAC name of (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid (CID 135735782) is (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid?
The canonical SMILES for (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid is COC(=O)C(C)C[C@H](C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid?
The InChIKey is DROJCALKZUUUKJ-FWPZAIACSA-N. The full InChI is InChI=1S/C10H17NO6/c1-5(10(16)17-2)3-6(8(12)13)4-7(11)9(14)15/h5-7H,3-4,11H2,1-2H3,(H,12,13)(H,14,15)/t5?,6-,7+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid?
(2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid has a molecular weight of 247.25 g/mol, XLogP of -0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-(3-methoxy-2-methyl-3-oxopropyl)pentanedioic acid is sourced from PubChem (CID 135735782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).