1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid

C14H25N3O4 — CID 103997635

IUPAC1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O4/c1-9(10(18)16-13(2,3)4)15-12(21)17-14(11(19)20)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyRGCDOGJLVANWPX-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.99
Rot. Bonds4

About 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid

1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 103997635) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID103997635
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(NC(=O)NC1(C(=O)O)CCCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O4/c1-9(10(18)16-13(2,3)4)15-12(21)17-14(11(19)20)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,16,18)(H,19,20)(H2,15,17,21)
InChIKeyRGCDOGJLVANWPX-UHFFFAOYSA-N
XLogP0.99
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023
1-[2-(2,2-dimethylpropanoylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 43358914
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444
1-(tert-butylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65452446
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 113408093
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
4-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]oxane-4-carboxylic acid
CID 113280445
1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(methanesulfonamido)cyclohexane-1-carboxamide
CID 94820390
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 103997635) is 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid is CC(NC(=O)NC1(C(=O)O)CCCC1)C(=O)NC(C)(C)C.
What is the InChIKey of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RGCDOGJLVANWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-9(10(18)16-13(2,3)4)15-12(21)17-14(11(19)20)7-5-6-8-14/h9H,5-8H2,1-4H3,(H,16,18)(H,19,20)(H2,15,17,21).
What are the key properties of 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 0.99, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103997635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).