2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide

C13H25N3O3 — CID 5487201

IUPAC2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide
SMILESCC(C)NCC(=O)NC(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-8(2)14-7-10(17)16-11(18)9(3)15-12(19)13(4,5)6/h8-9,14H,7H2,1-6H3,(H,15,19)(H,16,17,18)/t9-/m0/s1
InChIKeyALFQJSKVMAGOFK-VIFPVBQESA-N
MW271.36 g/mol
LogP0.18
Rot. Bonds5

About 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide (PubChem CID 5487201) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide
PubChem CID5487201
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide
SMILESCC(C)NCC(=O)NC(=O)[C@H](C)NC(=O)C(C)(C)C
InChIInChI=1S/C13H25N3O3/c1-8(2)14-7-10(17)16-11(18)9(3)15-12(19)13(4,5)6/h8-9,14H,7H2,1-6H3,(H,15,19)(H,16,17,18)/t9-/m0/s1
InChIKeyALFQJSKVMAGOFK-VIFPVBQESA-N
XLogP0.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide (CID 5487201) is 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide is CC(C)NCC(=O)NC(=O)[C@H](C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide?
The InChIKey is ALFQJSKVMAGOFK-VIFPVBQESA-N. The full InChI is InChI=1S/C13H25N3O3/c1-8(2)14-7-10(17)16-11(18)9(3)15-12(19)13(4,5)6/h8-9,14H,7H2,1-6H3,(H,15,19)(H,16,17,18)/t9-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide has a molecular weight of 271.36 g/mol, XLogP of 0.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-1-oxo-1-[[2-(propan-2-ylamino)acetyl]amino]propan-2-yl]propanamide is sourced from PubChem (CID 5487201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).