(2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid

C11H22N2O3 — CID 82681723

IUPAC(2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CCNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)6-7-13-9(14)5-4-8(12)10(15)16/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFNZMPCYJCBABOW-QMMMGPOBSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds6

About (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid

(2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid (PubChem CID 82681723) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid
PubChem CID82681723
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CCNC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-11(2,3)6-7-13-9(14)5-4-8(12)10(15)16/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyFNZMPCYJCBABOW-QMMMGPOBSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 439378
Aceglutamide
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CID 25561
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CID 440760
Gamma-Glutamylglutamine
CID 150914
gamma-Glutamylleucine
CID 151023
L-gamma-glutamyl-L-glutamic acid
CID 92865
gamma-Glutamyl-alpha-aminobutyrate
CID 7014903
Gamma-Glutamylalanine
CID 440103
Ophthalmic acid
CID 7018721
2-Amino-5-[(1-carboxyethyl)amino]-5-oxopentanoic acid
CID 5154674
L-gamma-glutamyl-L-isoleucine
CID 22885096

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid (CID 82681723) is (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid is CC(C)(C)CCNC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid?
The InChIKey is FNZMPCYJCBABOW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)6-7-13-9(14)5-4-8(12)10(15)16/h8H,4-7,12H2,1-3H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid?
(2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(3,3-dimethylbutylamino)-5-oxopentanoic acid is sourced from PubChem (CID 82681723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).