2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid

C12H23NO2 — CID 114995374

IUPAC2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NC(C)(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-5-10(8(2)3)13-12(4,11(14)15)9-6-7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyDBBVSTWZRPJHMV-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.26
Rot. Bonds6

About 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid

2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid (PubChem CID 114995374) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
PubChem CID114995374
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid
SMILESCCC(NC(C)(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C12H23NO2/c1-5-10(8(2)3)13-12(4,11(14)15)9-6-7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyDBBVSTWZRPJHMV-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[1-(diethylamino)propan-2-ylamino]propanoic acid
CID 114991783
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
CID 61161568
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115910047
2-cyclopropyl-2-[3-(ethylamino)propylamino]propanoic acid
CID 114988164
2-cyclopropyl-2-[(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 114987732
2-cyclopropyl-2-(cyclopropylamino)propanoic acid
CID 43754464
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
2-hydroxy-2-methyl-3-(2-methylpentan-3-ylamino)propanoic acid
CID 104644167
2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-[(2-amino-2-ethylbutanoyl)amino]-2-cyclopropylpropanoic acid
CID 79812599

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid (CID 114995374) is 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid is CCC(NC(C)(C(=O)O)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
The InChIKey is DBBVSTWZRPJHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10(8(2)3)13-12(4,11(14)15)9-6-7-9/h8-10,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid?
2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylpentan-3-ylamino)propanoic acid is sourced from PubChem (CID 114995374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).