(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid

C15H28N2O4 — CID 167342932

IUPAC(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CC(=O)NC(=O)CC[C@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-14(2,3)9-12(19)16-11(18)8-7-10(13(20)21)17-15(4,5)6/h10,17H,7-9H2,1-6H3,(H,20,21)(H,16,18,19)/t10-/m0/s1
InChIKeyLKDZPNHOPJDLBI-JTQLQIEISA-N
MW300.40 g/mol
LogP1.69
Rot. Bonds6

About (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid

(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid (PubChem CID 167342932) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid
PubChem CID167342932
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid
SMILESCC(C)(C)CC(=O)NC(=O)CC[C@H](NC(C)(C)C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-14(2,3)9-12(19)16-11(18)8-7-10(13(20)21)17-15(4,5)6/h10,17H,7-9H2,1-6H3,(H,20,21)(H,16,18,19)/t10-/m0/s1
InChIKeyLKDZPNHOPJDLBI-JTQLQIEISA-N
XLogP1.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylamino)-4-hydroxybutanoic acid
CID 83695715
(2R)-2-(tert-butylamino)-5-ethoxy-5-oxopentanoic acid
CID 154614545
(2S,7R)-7-(tert-butylamino)-2-(6,6-dimethylheptyl)-4-oxooctanedioic acid
CID 158441499
(2S)-2-(3,3-dimethylbutanoylamino)-3-methylsulfanylpropanoic acid
CID 87077809
2-(3,3-dimethylbutanoylamino)pentanoic acid
CID 43631047
(2S)-2-(3,3-dimethylbutanoylamino)-6-(propan-2-ylamino)hexanoic acid
CID 134175354
2-(1,1-dihydroxyethylamino)pentanedioic acid
CID 87961952
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid
CID 54041640
(2S)-2-[[(R)-(tert-butylamino)-hydroxymethyl]amino]pentanedioic acid
CID 59763153
4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
CID 164982954
(4S)-4-(tert-butylamino)-5-methoxy-5-oxopentanoic acid;hydrochloride
CID 164588662
N-acetyl-3,3-dimethylbutanamide
CID 59565837

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid (CID 167342932) is (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid is CC(C)(C)CC(=O)NC(=O)CC[C@H](NC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid?
The InChIKey is LKDZPNHOPJDLBI-JTQLQIEISA-N. The full InChI is InChI=1S/C15H28N2O4/c1-14(2,3)9-12(19)16-11(18)8-7-10(13(20)21)17-15(4,5)6/h10,17H,7-9H2,1-6H3,(H,20,21)(H,16,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid?
(2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(tert-butylamino)-5-(3,3-dimethylbutanoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 167342932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).