2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid

C11H20N2O3 — CID 61488998

IUPAC2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)N(C)C1CC1
InChIInChI=1S/C11H20N2O3/c1-8(2)13(7-11(15)16)6-10(14)12(3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyQKPYHKGYVQTEOO-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.40
Rot. Bonds6

About 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid

2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (PubChem CID 61488998) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
PubChem CID61488998
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)N(C)C1CC1
InChIInChI=1S/C11H20N2O3/c1-8(2)13(7-11(15)16)6-10(14)12(3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyQKPYHKGYVQTEOO-UHFFFAOYSA-N
XLogP0.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-methylamino]acetic acid
CID 61489399
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60839636
2-[cyclopentyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 54957297
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]acetic acid
CID 79269392
2-[[cyclopentyl(methyl)carbamoyl]-propan-2-ylamino]acetic acid
CID 55137125
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63066641
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711
2-[4-[methyl(4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 116817200
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083126
4-[methyl(propanoyl)amino]cyclohexane-1-carboxylic acid
CID 115270020
4-[methyl(4-methylpentanoyl)amino]cyclohexane-1-carboxylic acid
CID 115277291
2-[[2-(cyclopentylamino)-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60840485

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid (CID 61488998) is 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC(=O)N(C)C1CC1.
What is the InChIKey of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
The InChIKey is QKPYHKGYVQTEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)13(7-11(15)16)6-10(14)12(3)9-4-5-9/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid?
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61488998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).