(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide

C13H25N3O2 — CID 112735424

IUPAC(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
SMILESCC(NC(=O)[C@@H](N)CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-8(11(17)16-13(2,3)4)15-12(18)10(14)7-9-5-6-9/h8-10H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)/t8?,10-/m0/s1
InChIKeyUNUHAFRCSCHEBI-HTLJXXAVSA-N
MW255.36 g/mol
LogP0.53
Rot. Bonds5

About (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide

(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide (PubChem CID 112735424) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
PubChem CID112735424
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide
SMILESCC(NC(=O)[C@@H](N)CC1CC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-8(11(17)16-13(2,3)4)15-12(18)10(14)7-9-5-6-9/h8-10H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)/t8?,10-/m0/s1
InChIKeyUNUHAFRCSCHEBI-HTLJXXAVSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide (CID 112735424) is (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide is CC(NC(=O)[C@@H](N)CC1CC1)C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide?
The InChIKey is UNUHAFRCSCHEBI-HTLJXXAVSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-8(11(17)16-13(2,3)4)15-12(18)10(14)7-9-5-6-9/h8-10H,5-7,14H2,1-4H3,(H,15,18)(H,16,17)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide?
(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-cyclopropylpropanamide is sourced from PubChem (CID 112735424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).