(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide

C14H27N3O3 — CID 142118598

IUPAC(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
SMILESCCC(=O)N[C@H](C)C(=O)NCC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-7-11(18)16-9(2)13(20)15-8-12(19)17-10(3)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,20)(H,16,18)(H,17,19)/t9-,10?/m1/s1
InChIKeyQIOGDPHHFMLLRT-YHMJZVADSA-N
MW285.39 g/mol
LogP0.57
Rot. Bonds6

About (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide

(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide (PubChem CID 142118598) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
PubChem CID142118598
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide
SMILESCCC(=O)N[C@H](C)C(=O)NCC(=O)NC(C)C(C)(C)C
InChIInChI=1S/C14H27N3O3/c1-7-11(18)16-9(2)13(20)15-8-12(19)17-10(3)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,20)(H,16,18)(H,17,19)/t9-,10?/m1/s1
InChIKeyQIOGDPHHFMLLRT-YHMJZVADSA-N
XLogP0.57
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide?
The IUPAC name of (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide (CID 142118598) is (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide.
What is the SMILES notation for (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide?
The canonical SMILES for (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide is CCC(=O)N[C@H](C)C(=O)NCC(=O)NC(C)C(C)(C)C.
What is the InChIKey of (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide?
The InChIKey is QIOGDPHHFMLLRT-YHMJZVADSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-7-11(18)16-9(2)13(20)15-8-12(19)17-10(3)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,20)(H,16,18)(H,17,19)/t9-,10?/m1/s1.
What are the key properties of (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide?
(2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide has a molecular weight of 285.39 g/mol, XLogP of 0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3,3-dimethylbutan-2-ylamino)-2-oxoethyl]-2-(propanoylamino)propanamide is sourced from PubChem (CID 142118598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).