2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid

C11H20N2O4 — CID 82762630

IUPAC2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCOCC(N)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(10(15)16)5-3-4-8(11)13-9(14)7(12)6-17-2/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWXBRJOFVALUUHA-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.28
Rot. Bonds5

About 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82762630) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82762630
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCOCC(N)C(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-11(10(15)16)5-3-4-8(11)13-9(14)7(12)6-17-2/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyWXBRJOFVALUUHA-UHFFFAOYSA-N
XLogP-0.28
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminopropanoylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214083
2-[[(2R)-2-aminopropanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213563
2-(1-methoxybutan-2-ylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82764156
2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760507
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-1-methylcyclohexane-1-carboxylic acid
CID 103930463
2-[(5-amino-2-methylpentanoyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 104685502
2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82765494
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-amino-3-methoxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)propanamide;hydrochloride
CID 120991463
2-[(6-amino-2-methylheptanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83209774
2-[3-(2,2-difluoroethoxy)propanoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 103206218

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82762630) is 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid is COCC(N)C(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is WXBRJOFVALUUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(10(15)16)5-3-4-8(11)13-9(14)7(12)6-17-2/h7-8H,3-6,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 244.29 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropanoyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).