2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid

C10H20N2O3 — CID 43442431

IUPAC2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)C(C)NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)8(3)11-9(13)5-12(4)6-10(14)15/h7-8H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyAQRPGMISPNRAFR-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.16
Rot. Bonds6

About 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid

2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid (PubChem CID 43442431) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
PubChem CID43442431
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
SMILESCC(C)C(C)NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)8(3)11-9(13)5-12(4)6-10(14)15/h7-8H,5-6H2,1-4H3,(H,11,13)(H,14,15)
InChIKeyAQRPGMISPNRAFR-UHFFFAOYSA-N
XLogP0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60730087
2-[2-(dimethylamino)ethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 107425454
2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79276238
2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8710546
2-[cyclopropylmethyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43656855
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559536
N-(2,6-dichlorophenyl)-2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8559545
2-[methyl-[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8710734
N-(3,4-dichlorophenyl)-2-[methyl-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 8709970
2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
CID 43442483

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid (CID 43442431) is 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid is CC(C)C(C)NC(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
The InChIKey is AQRPGMISPNRAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)8(3)11-9(13)5-12(4)6-10(14)15/h7-8H,5-6H2,1-4H3,(H,11,13)(H,14,15).
What are the key properties of 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43442431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).