2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid

C11H20N2O3 — CID 61161568

IUPAC2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
SMILESCC(C)NCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-7(2)12-6-9(14)13-11(3,10(15)16)8-4-5-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHSXXZZKLSWVCGF-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.35
Rot. Bonds6

About 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid

2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid (PubChem CID 61161568) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
PubChem CID61161568
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid
SMILESCC(C)NCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C11H20N2O3/c1-7(2)12-6-9(14)13-11(3,10(15)16)8-4-5-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyHSXXZZKLSWVCGF-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(tert-butylamino)acetyl]amino]-2-cyclopropylpropanoic acid
CID 79256381
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-cyclopropyl-2-[(2-methyl-3-methylsulfanylpropanoyl)amino]propanoic acid
CID 115910047
2-cyclopropyl-2-[4-(methylamino)butanoylamino]propanoic acid
CID 61161764
2-(cyclobutylmethylamino)-2-cyclopropylpropanoic acid
CID 114988242
2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]propanoic acid
CID 103513145
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-[3-(cyclopentanecarbonylamino)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172564
2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-[(4,4,4-trifluoro-3-phenylbutanoyl)amino]propanoic acid
CID 75472228
2-cyclopropyl-2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 55001121

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid (CID 61161568) is 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid is CC(C)NCC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid?
The InChIKey is HSXXZZKLSWVCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)12-6-9(14)13-11(3,10(15)16)8-4-5-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(propan-2-ylamino)acetyl]amino]propanoic acid is sourced from PubChem (CID 61161568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).