(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid

C15H28N2O4 — CID 119194062

IUPAC(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)CCCC(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-5-11(4)14(15(20)21)16-12(18)9-8-10-13(19)17(6-2)7-3/h11,14H,5-10H2,1-4H3,(H,16,18)(H,20,21)/t11-,14-/m0/s1
InChIKeyXRDZLFVMGINFLM-FZMZJTMJSA-N
MW300.40 g/mol
LogP1.64
Rot. Bonds10

About (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid

(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid (PubChem CID 119194062) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid
PubChem CID119194062
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)CCCC(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-5-11(4)14(15(20)21)16-12(18)9-8-10-13(19)17(6-2)7-3/h11,14H,5-10H2,1-4H3,(H,16,18)(H,20,21)/t11-,14-/m0/s1
InChIKeyXRDZLFVMGINFLM-FZMZJTMJSA-N
XLogP1.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787
(2S)-2-(docosanoylamino)-3-methylpentanoic acid
CID 139298732
(2S)-3-methyl-2-(octadecanoylamino)pentanoic acid
CID 90103267
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
2-(henicosanoylamino)-3-methylpentanoic acid
CID 11690720
(2S)-3-methyl-2-(13-methyltetradecanoylamino)pentanoic acid
CID 87871301
2-(4-chlorobutanoylamino)-3-methylpentanoic acid
CID 3503073
(2S)-3-methyl-2-[4-(methylamino)butanoylamino]pentanoic acid
CID 61174333
2-(3-methoxypropanoylamino)-3-methylpentanoic acid
CID 60759451
2-(6-acetamidohexanoylamino)-3-methylpentanoic acid
CID 43356416
(2S,3R)-3-methyl-2-(pent-4-enoylamino)pentanoic acid
CID 94547326

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid (CID 119194062) is (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)CCCC(=O)N(CC)CC)C(=O)O.
What is the InChIKey of (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid?
The InChIKey is XRDZLFVMGINFLM-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-11(4)14(15(20)21)16-12(18)9-8-10-13(19)17(6-2)7-3/h11,14H,5-10H2,1-4H3,(H,16,18)(H,20,21)/t11-,14-/m0/s1.
What are the key properties of (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid?
(2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[[5-(diethylamino)-5-oxopentanoyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 119194062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).