(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C10H19NO4 — CID 58427308

IUPAC(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)7(11-4)5-6-8(12)13/h7,11H,5-6H2,1-4H3,(H,12,13)/t7-/m0/s1
InChIKeyDYCGWURWNWECEM-ZETCQYMHSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds5

About (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 58427308) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID58427308
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCN[C@@H](CCC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(14)7(11-4)5-6-8(12)13/h7,11H,5-6H2,1-4H3,(H,12,13)/t7-/m0/s1
InChIKeyDYCGWURWNWECEM-ZETCQYMHSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1,3-bis[(2-methylpropan-2-yl)oxy]-1,3-dioxopropan-2-yl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 87722888
(4R)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-(propan-2-ylamino)pentanoic acid
CID 155043416
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
(4R)-4-[[(2R)-1,5-bis[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]carbamoylamino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 164851528
5-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopentanoic acid
CID 15186645
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
tert-butyl 2,6-bis(methylamino)hexanoate
CID 59397454
5-O-benzyl 1-O-tert-butyl 2-(methylamino)pentanedioate
CID 18472196
4-(benzenesulfonamido)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 22975704
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
5-[(2-methylpropan-2-yl)oxy]-4-[[5-[(2-methylpropan-2-yl)oxy]-4-[[5-[(2-methylpropan-2-yl)oxy]-4-[[5-[(2-methylpropan-2-yl)oxy]-4-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 174631288
(4S)-4-(1,5-dioxopentan-2-ylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 175996774

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 58427308) is (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CN[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is DYCGWURWNWECEM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(14)7(11-4)5-6-8(12)13/h7,11H,5-6H2,1-4H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(methylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 58427308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).