2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid

C14H22N2O4 — CID 67301169

IUPAC2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid
SMILESCCC(C)NCC(=O)O.O=C(O)CCc1cccnc1
InChIInChI=1S/C8H9NO2.C6H13NO2/c10-8(11)4-3-7-2-1-5-9-6-7;1-3-5(2)7-4-6(8)9/h1-2,5-6H,3-4H2,(H,10,11);5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyFUXNMKNUJMETFQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.56
Rot. Bonds7

About 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid

2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid (PubChem CID 67301169) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid
PubChem CID67301169
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid
SMILESCCC(C)NCC(=O)O.O=C(O)CCc1cccnc1
InChIInChI=1S/C8H9NO2.C6H13NO2/c10-8(11)4-3-7-2-1-5-9-6-7;1-3-5(2)7-4-6(8)9/h1-2,5-6H,3-4H2,(H,10,11);5,7H,3-4H2,1-2H3,(H,8,9)
InChIKeyFUXNMKNUJMETFQ-UHFFFAOYSA-N
XLogP1.56
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
pyrazine-2,5-dicarboxamide;bis(3-pyridin-3-ylpropanoic acid)
CID 122691217
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
6-methyl-1-pyridin-3-ylheptane-3,5-dione
CID 159181392
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
2-(butan-2-ylamino)-N-(1-pyridin-3-ylethyl)acetamide
CID 60854286
2-(butan-2-ylamino)-N-[(1S)-1-pyridin-3-ylethyl]acetamide
CID 81404467
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
4-methyl-1-pyridin-3-ylheptan-3-one
CID 107891307
(111C)methyl 3-pyridin-3-ylpropanoate
CID 11816043
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid (CID 67301169) is 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid is CCC(C)NCC(=O)O.O=C(O)CCc1cccnc1.
What is the InChIKey of 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid?
The InChIKey is FUXNMKNUJMETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H13NO2/c10-8(11)4-3-7-2-1-5-9-6-7;1-3-5(2)7-4-6(8)9/h1-2,5-6H,3-4H2,(H,10,11);5,7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid?
2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid has a molecular weight of 282.34 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)acetic acid;3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 67301169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).