2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid

C10H17N3O3 — CID 61012153

IUPAC2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(C)CCC#N
InChIInChI=1S/C10H17N3O3/c1-3-13(8-10(15)16)7-9(14)12(2)6-4-5-11/h3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyVXGWCHNSRMPCCG-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.24
Rot. Bonds7

About 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid

2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid (PubChem CID 61012153) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
PubChem CID61012153
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)CC(=O)N(C)CCC#N
InChIInChI=1S/C10H17N3O3/c1-3-13(8-10(15)16)7-9(14)12(2)6-4-5-11/h3-4,6-8H2,1-2H3,(H,15,16)
InChIKeyVXGWCHNSRMPCCG-UHFFFAOYSA-N
XLogP-0.24
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107426059
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
2-[(3-amino-2,2-dimethylpropyl)-ethylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 79661823
2-[2-cyanoethyl(propyl)amino]acetic acid
CID 62962287
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
2-[[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]acetyl]-methylamino]acetic acid
CID 143021592
2-[[2-cyanoethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 43135817
N-(2-cyanoethyl)-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
CID 55219777
N-(2-cyanoethyl)-2-hydroxy-N-methylacetamide
CID 43289856
N-(2-cyanoethyl)-N-methyl-2-[methyl(1-methylsulfanylpropan-2-yl)amino]acetamide
CID 112692197
4-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 54925440

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid (CID 61012153) is 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid is CCN(CC(=O)O)CC(=O)N(C)CCC#N.
What is the InChIKey of 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
The InChIKey is VXGWCHNSRMPCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-3-13(8-10(15)16)7-9(14)12(2)6-4-5-11/h3-4,6-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid?
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid has a molecular weight of 227.26 g/mol, XLogP of -0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid is sourced from PubChem (CID 61012153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).