N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide

C12H23N3O2 — CID 112703978

IUPACN-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
SMILESCC(NC(=O)CNC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-8(11(17)15-12(2,3)4)14-10(16)7-13-9-5-6-9/h8-9,13H,5-7H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyLZXAQWQNXZOQNA-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.16
Rot. Bonds5

About N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide

N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide (PubChem CID 112703978) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
PubChem CID112703978
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide
SMILESCC(NC(=O)CNC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-8(11(17)15-12(2,3)4)14-10(16)7-13-9-5-6-9/h8-9,13H,5-7H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyLZXAQWQNXZOQNA-UHFFFAOYSA-N
XLogP0.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclopropylamino)acetyl]amino]propanamide
CID 60842858
2-[[2-(cyclopentylamino)acetyl]amino]-N-methylpropanamide
CID 61467728
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
N-tert-butyl-2-[(2-chloroacetyl)amino]propanamide
CID 115879856
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
3-[[2-(cyclopropylamino)acetyl]amino]butanoic acid
CID 61160049
2-[[2-(cyclopentylamino)acetyl]amino]propanamide
CID 60848891
2-(tert-butylcarbamoylamino)-N-cyclopropylpropanamide
CID 115585441
N-tert-butyl-2-[(4-propylcyclohexyl)amino]acetamide
CID 60980793
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
CID 112701709
2-[(2-anilinoacetyl)amino]-N-tert-butylpropanamide;hydrochloride
CID 119748180
2-(cyclohexylamino)-N-propan-2-ylacetamide
CID 28565007

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide?
The IUPAC name of N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide (CID 112703978) is N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide is CC(NC(=O)CNC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide?
The InChIKey is LZXAQWQNXZOQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(11(17)15-12(2,3)4)14-10(16)7-13-9-5-6-9/h8-9,13H,5-7H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide?
N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(cyclopropylamino)acetyl]amino]propanamide is sourced from PubChem (CID 112703978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).