2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid

C9H16N2O3 — CID 43465978

IUPAC2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNCC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-2-11(7-3-4-7)8(12)5-10-6-9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyHEKKCUFGUWZCPW-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.33
Rot. Bonds6

About 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid

2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid (PubChem CID 43465978) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
PubChem CID43465978
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid
SMILESCCN(C(=O)CNCC(=O)O)C1CC1
InChIInChI=1S/C9H16N2O3/c1-2-11(7-3-4-7)8(12)5-10-6-9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyHEKKCUFGUWZCPW-UHFFFAOYSA-N
XLogP-0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-(cyclopropylmethylamino)-N-ethylacetamide
CID 60843358
3-[cyclopropyl(ethyl)amino]-3-oxopropanoic acid
CID 62231745
4-[[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473494
N-cyclohexyl-N-ethyl-2-(ethylamino)acetamide
CID 60686638
N-cyclopropyl-N-ethyl-2-(3-methylbutylamino)acetamide
CID 60975211
N-cyclopropyl-2-(2-ethoxyethylamino)-N-ethylacetamide
CID 60976287
3-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 112685323
N-cyclopropyl-N-ethyl-2-[(3-hydroxycyclobutyl)methylamino]acetamide
CID 66006581
N-cyclopropyl-N-ethyl-2-[(3-hydroxy-2-methylpropyl)amino]acetamide
CID 65036523
N-cyclopropyl-2-[3-(diethylamino)propylamino]-N-ethylacetamide
CID 54957328
N-cyclopropyl-2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-N-ethylacetamide
CID 54957022
N-cyclopropyl-N-ethyl-2-(2,2,3,3-tetrafluoropropylamino)acetamide
CID 114169288

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid (CID 43465978) is 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid is CCN(C(=O)CNCC(=O)O)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
The InChIKey is HEKKCUFGUWZCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-11(7-3-4-7)8(12)5-10-6-9(13)14/h7,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid?
2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43465978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).