2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid

C16H29NO4 — CID 122128043

IUPAC2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid
SMILESCOC(=O)CC1CCC(NCC(CC(C)C)C(=O)O)C1C
InChIInChI=1S/C16H29NO4/c1-10(2)7-13(16(19)20)9-17-14-6-5-12(11(14)3)8-15(18)21-4/h10-14,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyNTQNOPYYYDSHPW-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.30
Rot. Bonds8

About 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid

2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid (PubChem CID 122128043) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid
PubChem CID122128043
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid
SMILESCOC(=O)CC1CCC(NCC(CC(C)C)C(=O)O)C1C
InChIInChI=1S/C16H29NO4/c1-10(2)7-13(16(19)20)9-17-14-6-5-12(11(14)3)8-15(18)21-4/h10-14,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyNTQNOPYYYDSHPW-UHFFFAOYSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid (CID 122128043) is 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid is COC(=O)CC1CCC(NCC(CC(C)C)C(=O)O)C1C.
What is the InChIKey of 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid?
The InChIKey is NTQNOPYYYDSHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-10(2)7-13(16(19)20)9-17-14-6-5-12(11(14)3)8-15(18)21-4/h10-14,17H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid?
2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid has a molecular weight of 299.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(2-methoxy-2-oxoethyl)-2-methylcyclopentyl]amino]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 122128043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).