1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid

C10H18N2O3 — CID 64564332

IUPAC1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
SMILESCC(C(N)=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(9(11)13)12-6-4-2-3-5-8(12)10(14)15/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyJUYOQCKISGWPEZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.19
Rot. Bonds3

About 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid

1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid (PubChem CID 64564332) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
PubChem CID64564332
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid
SMILESCC(C(N)=O)N1CCCCCC1C(=O)O
InChIInChI=1S/C10H18N2O3/c1-7(9(11)13)12-6-4-2-3-5-8(12)10(14)15/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyJUYOQCKISGWPEZ-UHFFFAOYSA-N
XLogP0.19
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxy-1-oxopropan-2-yl)piperidine-2-carboxylic acid
CID 82223955
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440976
1-[1-(butan-2-ylamino)-1-oxopropan-2-yl]piperidine-2-carboxylic acid
CID 43440972
1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107072433
1-[(2R)-2-aminopropanoyl]azepane-2-carboxylic acid
CID 78996683
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
1-[1-(1-amino-1-oxopropan-2-yl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 54907006
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
1-(1-cyclopropylpropyl)piperidine-2-carboxylic acid
CID 65054107
1-(dihydroxymethyl)pyrrolidine-2-carboxylic acid
CID 22996998

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid?
The IUPAC name of 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid (CID 64564332) is 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid.
What is the SMILES notation for 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid?
The canonical SMILES for 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid is CC(C(N)=O)N1CCCCCC1C(=O)O.
What is the InChIKey of 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid?
The InChIKey is JUYOQCKISGWPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(9(11)13)12-6-4-2-3-5-8(12)10(14)15/h7-8H,2-6H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid?
1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-1-oxopropan-2-yl)azepane-2-carboxylic acid is sourced from PubChem (CID 64564332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).