1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C12H22N2O3 — CID 106330695

IUPAC1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)(CC)NC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-4-11(3,5-2)14-10(17)13-8-12(6-7-12)9(15)16/h4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyCLFMFUNFWLQYMB-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.73
Rot. Bonds6

About 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 106330695) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID106330695
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)(CC)NC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C12H22N2O3/c1-4-11(3,5-2)14-10(17)13-8-12(6-7-12)9(15)16/h4-8H2,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyCLFMFUNFWLQYMB-UHFFFAOYSA-N
XLogP1.73
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 53397422
1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451089
1-[(2-acetamidoethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451265
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901
1-[(2-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451382
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312463
4-[(2,2-dimethylpropylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440388
1-[[[(Z)-2-methylpent-2-enoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449763
4-(3-methylpentan-3-ylcarbamoylamino)butanoic acid
CID 106330626
1-[(2,2-dimethylpropanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435631

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 106330695) is 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is CCC(C)(CC)NC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CLFMFUNFWLQYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-4-11(3,5-2)14-10(17)13-8-12(6-7-12)9(15)16/h4-8H2,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 106330695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).