1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid

C10H17N3O4 — CID 64562960

IUPAC1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
SMILESNC(=O)NC(=O)CN1CCCCCC1C(=O)O
InChIInChI=1S/C10H17N3O4/c11-10(17)12-8(14)6-13-5-3-1-2-4-7(13)9(15)16/h7H,1-6H2,(H,15,16)(H3,11,12,14,17)
InChIKeyRJIJZHOOJSWIEY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.49
Rot. Bonds3

About 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid

1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid (PubChem CID 64562960) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
PubChem CID64562960
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid
SMILESNC(=O)NC(=O)CN1CCCCCC1C(=O)O
InChIInChI=1S/C10H17N3O4/c11-10(17)12-8(14)6-13-5-3-1-2-4-7(13)9(15)16/h7H,1-6H2,(H,15,16)(H3,11,12,14,17)
InChIKeyRJIJZHOOJSWIEY-UHFFFAOYSA-N
XLogP-0.49
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(carbamoylamino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 43441026
1-[2-(methoxycarbonylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64563347
N-carbamoyl-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116637702
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
1-[2-(azocan-1-yl)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564718
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538
1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442143
1-[2-oxo-2-(prop-2-enylamino)ethyl]azepane-2-carboxylic acid
CID 64562180
1-[2-(2-acetamidoethylamino)-2-oxoethyl]azepane-2-carboxylic acid
CID 64564329
(2S)-1-(2-amino-2-oxoethyl)pyrrolidine-2-carboxylic acid
CID 57122490
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]azepane-2-carboxylic acid
CID 64563925
(2S)-1-[2-(azepan-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910511

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid (CID 64562960) is 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid is NC(=O)NC(=O)CN1CCCCCC1C(=O)O.
What is the InChIKey of 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid?
The InChIKey is RJIJZHOOJSWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c11-10(17)12-8(14)6-13-5-3-1-2-4-7(13)9(15)16/h7H,1-6H2,(H,15,16)(H3,11,12,14,17).
What are the key properties of 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid?
1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)-2-oxoethyl]azepane-2-carboxylic acid is sourced from PubChem (CID 64562960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).