(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid

C15H27NO5 — CID 129123672

IUPAC(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid
SMILESCC(C)COC(=O)CCCC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H27NO5/c1-10(2)8-12(15(19)20)16-13(17)6-5-7-14(18)21-9-11(3)4/h10-12H,5-9H2,1-4H3,(H,16,17)(H,19,20)/t12-/m0/s1
InChIKeyGSTOCFQPOSFXDW-LBPRGKRZSA-N
MW301.38 g/mol
LogP1.97
Rot. Bonds10

About (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid

(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid (PubChem CID 129123672) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid
PubChem CID129123672
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid
SMILESCC(C)COC(=O)CCCC(=O)N[C@@H](CC(C)C)C(=O)O
InChIInChI=1S/C15H27NO5/c1-10(2)8-12(15(19)20)16-13(17)6-5-7-14(18)21-9-11(3)4/h10-12H,5-9H2,1-4H3,(H,16,17)(H,19,20)/t12-/m0/s1
InChIKeyGSTOCFQPOSFXDW-LBPRGKRZSA-N
XLogP1.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-(octanoylamino)pentanoic acid
CID 15021466
(2S)-4-methyl-2-(tetracosanoylamino)pentanoic acid
CID 171116901
(2S)-4-methyl-2-(pentadecanoylamino)pentanoic acid
CID 54331833
(2S)-4-methyl-2-(undec-10-enoylamino)pentanoic acid
CID 10542049
(2R)-3-hexanoyloxy-2-(tetradecanoylamino)propanoic acid
CID 10093181
(2S)-2-(hexadecanoylamino)-3-hexadecanoyloxypropanoic acid
CID 88629935
(2S)-4-methyl-2-(4-sulfobutanoylamino)pentanoic acid
CID 138523569
(2S)-2-[[(Z)-18-hydroxyoctadec-9-enoyl]amino]-4-methylpentanoic acid
CID 172875087
6-(2-methylpropoxy)-2-(2-methylpropyl)-6-oxohexanoic acid
CID 175272434
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
methane;4-methyl-2-[[(Z)-octadec-9-enoyl]amino]pentanoic acid
CID 157439581

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid (CID 129123672) is (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid is CC(C)COC(=O)CCCC(=O)N[C@@H](CC(C)C)C(=O)O.
What is the InChIKey of (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid?
The InChIKey is GSTOCFQPOSFXDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27NO5/c1-10(2)8-12(15(19)20)16-13(17)6-5-7-14(18)21-9-11(3)4/h10-12H,5-9H2,1-4H3,(H,16,17)(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid?
(2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid has a molecular weight of 301.38 g/mol, XLogP of 1.97, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[[5-(2-methylpropoxy)-5-oxopentanoyl]amino]pentanoic acid is sourced from PubChem (CID 129123672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).