2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid

C11H22N2O3 — CID 61161299

IUPAC2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C(N)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-8(4)13(6-9(14)15)11(16)10(12)7(2)3/h7-8,10H,5-6,12H2,1-4H3,(H,14,15)
InChIKeyQFDDNCVIRBZDAL-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.68
Rot. Bonds6

About 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid

2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid (PubChem CID 61161299) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
PubChem CID61161299
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C(N)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-8(4)13(6-9(14)15)11(16)10(12)7(2)3/h7-8,10H,5-6,12H2,1-4H3,(H,14,15)
InChIKeyQFDDNCVIRBZDAL-UHFFFAOYSA-N
XLogP0.68
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-butan-2-yl-N-butyl-3-methylbutanamide
CID 79012967
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[bis(2-amino-2-oxoethyl)carbamoyl-butan-2-ylamino]acetic acid
CID 62923520
2-amino-N-ethyl-3-methyl-N-propan-2-ylbutanamide
CID 43265863
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
2-[butan-2-yl-[3-(ethylamino)-2-methylpropanoyl]amino]acetic acid
CID 62838561
2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-butan-2-ylamino]acetic acid
CID 61160929
2-[[(2R)-2-(azepan-1-yl)propanoyl]-[(2R)-butan-2-yl]amino]acetic acid
CID 99850362
2-[butan-2-yl(dibutylcarbamoyl)amino]acetic acid
CID 61184658
(2R)-2-amino-N,3-dimethyl-N-pentan-3-ylbutanamide
CID 79011778
2-[butan-2-yl-[ethyl(2-ethylbutyl)carbamoyl]amino]acetic acid
CID 61437486
2-[butan-2-yl-[butyl(methyl)carbamoyl]amino]acetic acid
CID 61186225

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid (CID 61161299) is 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C(N)C(C)C.
What is the InChIKey of 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid?
The InChIKey is QFDDNCVIRBZDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-8(4)13(6-9(14)15)11(16)10(12)7(2)3/h7-8,10H,5-6,12H2,1-4H3,(H,14,15).
What are the key properties of 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid?
2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid has a molecular weight of 230.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid is sourced from PubChem (CID 61161299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).