2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid

C13H26N2O2 — CID 63921885

IUPAC2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
SMILESCC(C)CC(C)N(C)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-9(2)7-10(3)15(4)8-13(14,12(16)17)11-5-6-11/h9-11H,5-8,14H2,1-4H3,(H,16,17)
InChIKeySIRLTUCWYHREIT-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.54
Rot. Bonds7

About 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid

2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid (PubChem CID 63921885) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
PubChem CID63921885
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid
SMILESCC(C)CC(C)N(C)CC(N)(C(=O)O)C1CC1
InChIInChI=1S/C13H26N2O2/c1-9(2)7-10(3)15(4)8-13(14,12(16)17)11-5-6-11/h9-11H,5-8,14H2,1-4H3,(H,16,17)
InChIKeySIRLTUCWYHREIT-UHFFFAOYSA-N
XLogP1.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-3-(diethylamino)propanoic acid
CID 63907227
2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)propanoic acid
CID 63922289
2-amino-2-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 60939188
2-amino-2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 63909963
2-amino-2-cyclopropyl-3-[cyclopropyl(ethyl)amino]propanoic acid
CID 63909323
2-amino-2-cyclopropyl-3-[methyl(pentyl)amino]propanoic acid
CID 63910898
ethyl 2-amino-2-cyclopropyl-3-[1-cyclopropylethyl(methyl)amino]propanoate
CID 63908948
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
2-amino-2-cyclopropyl-3-propan-2-yloxypropanoic acid
CID 63919758
2-amino-2-methyl-3-[methyl(4-methylpentan-2-yl)amino]propan-1-ol
CID 64826194
ethyl 2-amino-2-cyclopropyl-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanoate
CID 63911135
methyl 2-amino-2-cyclopropyl-3-[methyl(3-methylbutyl)amino]propanoate
CID 63916861

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid (CID 63921885) is 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid is CC(C)CC(C)N(C)CC(N)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid?
The InChIKey is SIRLTUCWYHREIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9(2)7-10(3)15(4)8-13(14,12(16)17)11-5-6-11/h9-11H,5-8,14H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid?
2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid has a molecular weight of 242.36 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-[methyl(4-methylpentan-2-yl)amino]propanoic acid is sourced from PubChem (CID 63921885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).