1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

C10H18N2O3 — CID 115451089

IUPAC1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)NC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-7(2)12-9(15)11-6-10(4-5-10)8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyYUVXQGKOWLPWEM-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.95
Rot. Bonds5

About 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid

1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451089) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID115451089
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCCC(C)NC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H18N2O3/c1-3-7(2)12-9(15)11-6-10(4-5-10)8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyYUVXQGKOWLPWEM-UHFFFAOYSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 115451089) is 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is CCC(C)NC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is YUVXQGKOWLPWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-7(2)12-9(15)11-6-10(4-5-10)8(13)14/h7H,3-6H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).