2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid

C11H20N2O3 — CID 62696024

IUPAC2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
SMILESCC(C)NCCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-7(2)12-6-5-9(14)13-10(11(15)16)8-3-4-8/h7-8,10,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCSPDNKDOZZFZDE-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds7

About 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid

2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid (PubChem CID 62696024) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
PubChem CID62696024
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid
SMILESCC(C)NCCC(=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-7(2)12-6-5-9(14)13-10(11(15)16)8-3-4-8/h7-8,10,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyCSPDNKDOZZFZDE-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetic acid
CID 62696018
2-cyclopropyl-2-[4-(methylamino)butanoylamino]acetic acid
CID 62696021
2-(butanoylamino)-2-cyclopropylacetic acid
CID 62694942
methyl 2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]amino]acetate
CID 103096980
2-cyclopropyl-2-[(3-methoxy-3-oxopropyl)amino]acetic acid
CID 103240366
2-[[2-(butan-2-ylamino)acetyl]amino]-2-cyclopropylacetic acid
CID 62696023
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-2-cyclopropylacetic acid
CID 103263129
N-(1-cyclopropylethyl)-4-(propan-2-ylamino)butanamide
CID 60849186
2-[(4-amino-3-methylbutanoyl)amino]-2-cyclopropylacetic acid
CID 81079237
2-(3-benzamidopropanoylamino)-2-cyclopropylacetic acid
CID 62695902
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431
5-[3-(propan-2-ylamino)propanoylamino]hexanoic acid
CID 82846309

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid (CID 62696024) is 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid is CC(C)NCCC(=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid?
The InChIKey is CSPDNKDOZZFZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)12-6-5-9(14)13-10(11(15)16)8-3-4-8/h7-8,10,12H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid?
2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(propan-2-ylamino)propanoylamino]acetic acid is sourced from PubChem (CID 62696024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).