3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid

C11H22N2O3 — CID 62328666

IUPAC3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
SMILESCCC(C)NCC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-9(3)12-8-10(14)13(5-2)7-6-11(15)16/h9,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMPQSJAOBRXMOL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.70
Rot. Bonds8

About 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid

3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid (PubChem CID 62328666) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
PubChem CID62328666
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid
SMILESCCC(C)NCC(=O)N(CC)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-9(3)12-8-10(14)13(5-2)7-6-11(15)16/h9,12H,4-8H2,1-3H3,(H,15,16)
InChIKeyQMPQSJAOBRXMOL-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylamino)-N-[3-(dimethylamino)propyl]-N-ethylacetamide
CID 102992913
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
CID 60954185
2-(butan-2-ylamino)-N,N-dihexylacetamide
CID 63497077
2-[[(2S)-butan-2-yl]amino]-N,N-dimethylacetamide
CID 28565761
3-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]-ethylamino]propanoic acid
CID 82962276
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
4-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pentanoic acid
CID 107795132
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
N,N-diethyl-2-(heptan-2-ylamino)acetamide
CID 60688008
2-(butan-2-ylamino)-N-methyl-N-(3-methylbutyl)acetamide
CID 60964030
3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119191273
2-(butan-2-ylamino)-N-ethyl-N-(furan-2-ylmethyl)acetamide
CID 60946987

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid (CID 62328666) is 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid is CCC(C)NCC(=O)N(CC)CCC(=O)O.
What is the InChIKey of 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid?
The InChIKey is QMPQSJAOBRXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-9(3)12-8-10(14)13(5-2)7-6-11(15)16/h9,12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid?
3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butan-2-ylamino)acetyl]-ethylamino]propanoic acid is sourced from PubChem (CID 62328666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).