2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid

C12H21N3O5 — CID 102659595

IUPAC2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCNC(=O)NC(=O)C(C)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-4-13-11(19)14-10(18)8(2)15-6-12(3,7-15)20-5-9(16)17/h8H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18,19)
InChIKeyQJJHEEJQXQIVDS-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.60
Rot. Bonds6

About 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659595) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659595
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCCNC(=O)NC(=O)C(C)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-4-13-11(19)14-10(18)8(2)15-6-12(3,7-15)20-5-9(16)17/h8H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18,19)
InChIKeyQJJHEEJQXQIVDS-UHFFFAOYSA-N
XLogP-0.60
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-methyl-1-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]azetidin-3-yl]oxyacetic acid
CID 102659342
N-(ethylcarbamoyl)-2-(3-hydroxyazetidin-1-yl)propanamide
CID 63282323
N-(ethylcarbamoyl)-2-piperazin-1-ylpropanamide
CID 43089574
N-(ethylcarbamoyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 46614180
(3S,4S)-1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114086173
2-[3-methyl-1-(2-methylsulfinylpropylcarbamoyl)azetidin-3-yl]oxyacetic acid
CID 102659149
(2R)-N-(ethylcarbamoyl)-2-(4-ethylsulfonylpiperazin-1-yl)propanamide
CID 94418975
methyl 1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 60638894
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[1-[1-(diethylamino)propan-2-ylcarbamoyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102658836
2-(3-aminopyrrolidin-1-yl)-N-(ethylcarbamoyl)propanamide;hydrochloride
CID 119917700
(2R)-2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(ethylcarbamoyl)propanamide
CID 11931790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659595) is 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid is CCNC(=O)NC(=O)C(C)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is QJJHEEJQXQIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-4-13-11(19)14-10(18)8(2)15-6-12(3,7-15)20-5-9(16)17/h8H,4-7H2,1-3H3,(H,16,17)(H2,13,14,18,19).
What are the key properties of 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 287.32 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).