2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid

C11H21NO2 — CID 103254407

IUPAC2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
SMILESCC(C)C(C)CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-7(2)8(3)6-12-10(11(13)14)9-4-5-9/h7-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyTUSJZKDCOQDECC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.73
Rot. Bonds6

About 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid

2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid (PubChem CID 103254407) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
PubChem CID103254407
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid
SMILESCC(C)C(C)CNC(C(=O)O)C1CC1
InChIInChI=1S/C11H21NO2/c1-7(2)8(3)6-12-10(11(13)14)9-4-5-9/h7-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyTUSJZKDCOQDECC-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[2-(dimethylamino)propylamino]acetic acid
CID 103245185
2-cyclopropyl-2-(2-ethoxypropylamino)acetic acid
CID 103265947
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
CID 61002881
2-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697339
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-cyclopropyl-2-(methylamino)acetic acid;hydrochloride
CID 146194288
2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
2-cyclopropyl-2-(2,3-dimethylpentanoylamino)acetic acid
CID 120521237
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetic acid
CID 106278391

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid (CID 103254407) is 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid is CC(C)C(C)CNC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid?
The InChIKey is TUSJZKDCOQDECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)8(3)6-12-10(11(13)14)9-4-5-9/h7-10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid?
2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,3-dimethylbutylamino)acetic acid is sourced from PubChem (CID 103254407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).