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

C9H16N2O3 — CID 53397422

IUPAC1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-6(2)11-8(14)10-5-9(3-4-9)7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyIEQRAZHWOZOEEQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.56
Rot. Bonds4

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

1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 53397422) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID53397422
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCC(C)NC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H16N2O3/c1-6(2)11-8(14)10-5-9(3-4-9)7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
InChIKeyIEQRAZHWOZOEEQ-UHFFFAOYSA-N
XLogP0.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(butan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451089
1-[(2-methylpentan-3-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451382
1-[[[1-(ethylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312463
1-[[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434048
1-[(octan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451389
1-[(hexan-2-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 113309355
1-[[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436808
1-[(3-methylpentan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436807
1-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-propan-2-ylurea
CID 115362818
1-[[3-(propan-2-ylamino)propanoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115450774
4-[[(1-amino-1-oxopropan-2-yl)carbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440356
4-[(5-methylhexan-2-ylcarbamoylamino)methyl]oxane-4-carboxylic acid
CID 115440547

Frequently Asked Questions

What is the IUPAC name of 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid (CID 53397422) is 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is CC(C)NC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is IEQRAZHWOZOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6(2)11-8(14)10-5-9(3-4-9)7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14).
What are the key properties of 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(propan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53397422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).