2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid

C10H20N2O3 — CID 43466192

IUPAC2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CCNC(=O)C(C)NCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)4-5-11-10(15)8(3)12-6-9(13)14/h7-8,12H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyWVUKYJHLXFFILJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.21
Rot. Bonds7

About 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 43466192) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID43466192
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCC(C)CCNC(=O)C(C)NCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)4-5-11-10(15)8(3)12-6-9(13)14/h7-8,12H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyWVUKYJHLXFFILJ-UHFFFAOYSA-N
XLogP0.21
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 88998079
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CID 43420237
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
N-(3-methylbutyl)-2-(4-methylpentan-2-ylamino)propanamide
CID 43372144
2-(3-methylbut-2-enylamino)-N-(3-methylbutyl)propanamide
CID 103520462
2-(carboxymethylamino)propanoic acid
CID 2764308
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
N-(3-methylbutyl)-2-(3-methylsulfinylbutylamino)propanamide
CID 113490444
2-(2-ethylsulfinylethylamino)-N-(3-methylbutyl)propanamide
CID 113494710

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 43466192) is 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid is CC(C)CCNC(=O)C(C)NCC(=O)O.
What is the InChIKey of 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is WVUKYJHLXFFILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)4-5-11-10(15)8(3)12-6-9(13)14/h7-8,12H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 216.28 g/mol, XLogP of 0.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 43466192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).