2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C12H22N2O4 — CID 113426139

IUPAC2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(CO)N(C)C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(7-15)14(2)12(18)13-6-9-4-3-5-10(9)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyVAMMHBNPVIGPNC-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.51
Rot. Bonds5

About 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 113426139) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID113426139
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC(CO)N(C)C(=O)NCC1CCCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(7-15)14(2)12(18)13-6-9-4-3-5-10(9)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyVAMMHBNPVIGPNC-UHFFFAOYSA-N
XLogP0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[ethyl(2-methylbutyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 79470086
2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]propanoic acid
CID 107419800
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 82951994
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
2-[methyl-[(2-methylcyclopentyl)methylcarbamoyl]amino]butanoic acid
CID 107419829
2-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79203111
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468
CID 164549432
CID 164549432
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 113426139) is 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is CC(CO)N(C)C(=O)NCC1CCCC1C(=O)O.
What is the InChIKey of 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is VAMMHBNPVIGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(7-15)14(2)12(18)13-6-9-4-3-5-10(9)11(16)17/h8-10,15H,3-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 113426139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).