2-(3-methylbutylamino)propanoic acid

C8H17NO2 — CID 16769163

IUPAC2-(3-methylbutylamino)propanoic acid
SMILESCC(C)CCNC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)4-5-9-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyCTQVAKLHSROWRN-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.10
Rot. Bonds5

About 2-(3-methylbutylamino)propanoic acid

2-(3-methylbutylamino)propanoic acid (PubChem CID 16769163) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(3-methylbutylamino)propanoic acid.

Molecular Properties

Compound Name2-(3-methylbutylamino)propanoic acid
PubChem CID16769163
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(3-methylbutylamino)propanoic acid
SMILESCC(C)CCNC(C)C(=O)O
InChIInChI=1S/C8H17NO2/c1-6(2)4-5-9-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyCTQVAKLHSROWRN-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
2-(3-methylbutylamino)propanamide
CID 43086017
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
2-(4-aminopentylamino)propanoic acid
CID 142180855
2-(3-methylbutylamino)-N-(2-methylpropyl)propanamide
CID 43086968
2-(pentylamino)propanoic acid
CID 43467235
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
2-amino-5-(1-carboxyethylamino)pentanoic acid
CID 22057595
4-[[(1S)-1-carboxyethyl]amino]-2-phenylbutanoic acid
CID 67799293
2-(3-methylbutylamino)-N-(methylcarbamoyl)propanamide
CID 43084446

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)propanoic acid?
The IUPAC name of 2-(3-methylbutylamino)propanoic acid (CID 16769163) is 2-(3-methylbutylamino)propanoic acid.
What is the SMILES notation for 2-(3-methylbutylamino)propanoic acid?
The canonical SMILES for 2-(3-methylbutylamino)propanoic acid is CC(C)CCNC(C)C(=O)O.
What is the InChIKey of 2-(3-methylbutylamino)propanoic acid?
The InChIKey is CTQVAKLHSROWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)4-5-9-7(3)8(10)11/h6-7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2-(3-methylbutylamino)propanoic acid?
2-(3-methylbutylamino)propanoic acid has a molecular weight of 159.23 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)propanoic acid is sourced from PubChem (CID 16769163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).