(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide

C13H25N3O3 — CID 104940473

IUPAC(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C13H25N3O3/c1-7(2)11(14)12(19)15-6-10(18)16-8-5-9(17)13(8,3)4/h7-9,11,17H,5-6,14H2,1-4H3,(H,15,19)(H,16,18)/t8?,9?,11-/m0/s1
InChIKeyCUOGEWBVYFPFQK-AMUVOQDHSA-N
MW271.36 g/mol
LogP-0.64
Rot. Bonds5

About (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 104940473) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID104940473
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)NC1CC(O)C1(C)C
InChIInChI=1S/C13H25N3O3/c1-7(2)11(14)12(19)15-6-10(18)16-8-5-9(17)13(8,3)4/h7-9,11,17H,5-6,14H2,1-4H3,(H,15,19)(H,16,18)/t8?,9?,11-/m0/s1
InChIKeyCUOGEWBVYFPFQK-AMUVOQDHSA-N
XLogP-0.64
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)butanamide
CID 104940471
2-(butan-2-ylamino)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629653
N-(3-hydroxy-2,2-dimethylcyclobutyl)-3-methylbutanamide
CID 114631068
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-methylpentanamide
CID 104940467
4-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]oxolane-3-carboxylic acid
CID 82961331
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-propan-2-ylsulfanylacetamide
CID 114630472
(2R)-2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 107570804
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylheptanamide
CID 114629788
(2S)-2-amino-N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]-3-methylbutanamide
CID 82962152
5-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)pentanamide
CID 114629795
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
2-(azetidin-3-yl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114629789

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide (CID 104940473) is (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)NC1CC(O)C1(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is CUOGEWBVYFPFQK-AMUVOQDHSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-7(2)11(14)12(19)15-6-10(18)16-8-5-9(17)13(8,3)4/h7-9,11,17H,5-6,14H2,1-4H3,(H,15,19)(H,16,18)/t8?,9?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 271.36 g/mol, XLogP of -0.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 104940473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).