2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid

C14H24N2O3 — CID 62697174

IUPAC2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCC(=O)N1CCCCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c17-12(16-8-4-2-1-3-5-9-16)10-15-13(14(18)19)11-6-7-11/h11,13,15H,1-10H2,(H,18,19)
InChIKeyRSKBJQNTEARHLQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds5

About 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid

2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid (PubChem CID 62697174) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
PubChem CID62697174
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
SMILESO=C(O)C(NCC(=O)N1CCCCCCC1)C1CC1
InChIInChI=1S/C14H24N2O3/c17-12(16-8-4-2-1-3-5-9-16)10-15-13(14(18)19)11-6-7-11/h11,13,15H,1-10H2,(H,18,19)
InChIKeyRSKBJQNTEARHLQ-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
2-[[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62695624
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
1-(azepan-1-yl)-2-(1,3-dihydroxypropan-2-ylamino)ethanone
CID 65314653
2-(2-bromoprop-2-enylamino)-2-cyclopropylacetic acid
CID 62695608
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
CID 115576039
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 63993753
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid (CID 62697174) is 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid is O=C(O)C(NCC(=O)N1CCCCCCC1)C1CC1.
What is the InChIKey of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
The InChIKey is RSKBJQNTEARHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-12(16-8-4-2-1-3-5-9-16)10-15-13(14(18)19)11-6-7-11/h11,13,15H,1-10H2,(H,18,19).
What are the key properties of 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid?
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62697174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).