2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid

C12H22N2O3 — CID 103263129

IUPAC2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
SMILESCC(C)(C)NC(=O)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14-9(15)6-7-13-10(11(16)17)8-4-5-8/h8,10,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFRJLEDJEWKZICE-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.74
Rot. Bonds6

About 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid

2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid (PubChem CID 103263129) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
PubChem CID103263129
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
SMILESCC(C)(C)NC(=O)CCNC(C(=O)O)C1CC1
InChIInChI=1S/C12H22N2O3/c1-12(2,3)14-9(15)6-7-13-10(11(16)17)8-4-5-8/h8,10,13H,4-7H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyFRJLEDJEWKZICE-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[3-(propan-2-ylamino)propanoylamino]acetic acid
CID 62696024
2-(tert-butylcarbamoylamino)-2-cyclopropylacetic acid
CID 62695953
2-(butylamino)-2-cyclopropylacetic acid
CID 62696417
2-(4-tert-butylcyclohexyl)-2-(ethylamino)acetic acid
CID 104575539
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 115605327
2-cyclopropyl-2-(4-hydroxybutylamino)acetic acid
CID 62697319
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetic acid
CID 106278391
2-cyclopropyl-2-[(2-methoxy-2-methylpropyl)amino]acetic acid
CID 103266053
2-cyclopropyl-2-(4,4,4-trifluorobutylamino)acetic acid
CID 115514640
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid (CID 103263129) is 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid is CC(C)(C)NC(=O)CCNC(C(=O)O)C1CC1.
What is the InChIKey of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid?
The InChIKey is FRJLEDJEWKZICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)14-9(15)6-7-13-10(11(16)17)8-4-5-8/h8,10,13H,4-7H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid?
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid has a molecular weight of 242.32 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid is sourced from PubChem (CID 103263129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).