[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate

C16H32N2O4 — CID 139407331

IUPAC[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OCC[C@@H](C)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H32N2O4/c1-10(2)8-13(17)15(19)21-7-6-12(5)22-16(20)14(18)9-11(3)4/h10-14H,6-9,17-18H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyPOFSXKZATHKWRH-RDBSUJKOSA-N
MW316.44 g/mol
LogP1.60
Rot. Bonds10

About [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate

[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate (PubChem CID 139407331) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate.

Molecular Properties

Compound Name[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
PubChem CID139407331
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Name[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate
SMILESCC(C)C[C@H](N)C(=O)OCC[C@@H](C)OC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C16H32N2O4/c1-10(2)8-13(17)15(19)21-7-6-12(5)22-16(20)14(18)9-11(3)4/h10-14H,6-9,17-18H2,1-5H3/t12-,13+,14+/m1/s1
InChIKeyPOFSXKZATHKWRH-RDBSUJKOSA-N
XLogP1.60
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate with MolForge

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Related Compounds

4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406
4-methylpentyl 2-amino-4-methylpentanoate
CID 61304078
[(3R)-3-[(2S)-2-chloropropanoyl]oxybutyl] (2S)-2-chloropropanoate
CID 98104689
CID 164753988
CID 164753988
heptadecyl (2S)-2-amino-4-methylpentanoate
CID 54540709
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
ethyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 11658447
1-acetyloxyethyl 2-amino-4-methylpentanoate
CID 87922143
dodecyl (2R)-2-amino-4-methylpentanoate;hydrochloride
CID 156902414
tetradecyl (2S)-2-amino-4-methylpentanoate;hydrochloride
CID 154585621
(2-amino-2-oxoethyl) (2S)-2-amino-4-methylpentanoate
CID 159439420
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate?
The IUPAC name of [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate (CID 139407331) is [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate.
What is the SMILES notation for [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate?
The canonical SMILES for [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate is CC(C)C[C@H](N)C(=O)OCC[C@@H](C)OC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate?
The InChIKey is POFSXKZATHKWRH-RDBSUJKOSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-10(2)8-13(17)15(19)21-7-6-12(5)22-16(20)14(18)9-11(3)4/h10-14H,6-9,17-18H2,1-5H3/t12-,13+,14+/m1/s1.
What are the key properties of [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate?
[(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate has a molecular weight of 316.44 g/mol, XLogP of 1.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2S)-2-amino-4-methylpentanoyl]oxybutyl] (2S)-2-amino-4-methylpentanoate is sourced from PubChem (CID 139407331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).