1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid

C12H22N2O3 — CID 114991633

IUPAC1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid
SMILESCC(NC1(C(=O)O)CCCCCCC1)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-9(10(13)15)14-12(11(16)17)7-5-3-2-4-6-8-12/h9,14H,2-8H2,1H3,(H2,13,15)(H,16,17)
InChIKeyBPKGZAMPZQZKAB-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.02
Rot. Bonds4

About 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid

1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid (PubChem CID 114991633) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid
PubChem CID114991633
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid
SMILESCC(NC1(C(=O)O)CCCCCCC1)C(N)=O
InChIInChI=1S/C12H22N2O3/c1-9(10(13)15)14-12(11(16)17)7-5-3-2-4-6-8-12/h9,14H,2-8H2,1H3,(H2,13,15)(H,16,17)
InChIKeyBPKGZAMPZQZKAB-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-amino-1-oxopropan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 82238350
1-[(1-amino-1-oxopropan-2-yl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114988539
1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 152629201
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid
CID 114988020
1-[[(2R)-2-aminopropanoyl]amino]cyclohexane-1-carboxylic acid
CID 10632420
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150
1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
CID 81167556
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444

Frequently Asked Questions

What is the IUPAC name of 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid?
The IUPAC name of 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid (CID 114991633) is 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid is CC(NC1(C(=O)O)CCCCCCC1)C(N)=O.
What is the InChIKey of 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid?
The InChIKey is BPKGZAMPZQZKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(10(13)15)14-12(11(16)17)7-5-3-2-4-6-8-12/h9,14H,2-8H2,1H3,(H2,13,15)(H,16,17).
What are the key properties of 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid?
1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid is sourced from PubChem (CID 114991633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).