3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid

C11H22N2O3 — CID 79012580

IUPAC3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-13(6-8(4)11(15)16)10(14)9(12)7(2)3/h7-9H,5-6,12H2,1-4H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyFAWUNNNPBAPHOH-YGPZHTELSA-N
MW230.31 g/mol
LogP0.54
Rot. Bonds6

About 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid

3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 79012580) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
PubChem CID79012580
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)[C@H](N)C(C)C
InChIInChI=1S/C11H22N2O3/c1-5-13(6-8(4)11(15)16)10(14)9(12)7(2)3/h7-9H,5-6,12H2,1-4H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyFAWUNNNPBAPHOH-YGPZHTELSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R)-2-aminopentanoyl]-ethylamino]-2-methylpropanoic acid
CID 103869271
3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
3-[2-acetamidopropanoyl(ethyl)amino]-2-methylpropanoic acid
CID 62826842
3-[[2-(carbamoylamino)-4-methylpentanoyl]-ethylamino]-2-methylpropanoic acid
CID 62825790
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2S)-2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylbutanamide
CID 61447181
3-[ethyl-[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853195
3-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62851345
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
CID 79471014
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
(2R)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylbutanamide
CID 79013546
3-[ethyl(3,4,4-trimethylpentanoyl)amino]-2-methylpropanoic acid
CID 63834633

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid (CID 79012580) is 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)[C@H](N)C(C)C.
What is the InChIKey of 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is FAWUNNNPBAPHOH-YGPZHTELSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(6-8(4)11(15)16)10(14)9(12)7(2)3/h7-9H,5-6,12H2,1-4H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid?
3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-3-methylbutanoyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 79012580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).