2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid

C11H20N2O3 — CID 79805439

IUPAC2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCCC(C)(N)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H20N2O3/c1-3-11(2,12)10(16)13(7-9(14)15)6-8-4-5-8/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyFNRYPVKDRMASMW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds6

About 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid

2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid (PubChem CID 79805439) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
PubChem CID79805439
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid
SMILESCCC(C)(N)C(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C11H20N2O3/c1-3-11(2,12)10(16)13(7-9(14)15)6-8-4-5-8/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyFNRYPVKDRMASMW-UHFFFAOYSA-N
XLogP0.44
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclopropylmethyl)-2-methyl-N-propylbutanamide
CID 79796804
2-[(2-amino-2-methylbutanoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79811378
2-[cyclopropylmethyl-[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetic acid
CID 63960082
2-[[(2S)-2-aminobutanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 79022935
2-[cyclopropylmethyl(2-methylpentan-2-ylcarbamoyl)amino]acetic acid
CID 113471940
2-[cyclopropylmethyl(2-methylbutanoyl)amino]acetic acid
CID 43655102
2-[(6-amino-4,4-dimethylhexanoyl)-(cyclopropylmethyl)amino]acetic acid
CID 65292062
2-[cyclopropylmethyl(2-cyclopropylpropan-2-ylcarbamoyl)amino]acetic acid
CID 114111594
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 79812019
2-[[(2S)-2-aminopentanoyl]-(cyclopropylmethyl)amino]acetic acid
CID 103869519
2-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
CID 43655471
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid (CID 79805439) is 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid is CCC(C)(N)C(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is FNRYPVKDRMASMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(2,12)10(16)13(7-9(14)15)6-8-4-5-8/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid?
2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylbutanoyl)-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 79805439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).